Difluoro(perfluoropropoxy)acetic acid
PubChem CID
71425832
Structure
Molecular Formula
- C3F7OCF2COOH
- C5HF9O3
Synonyms
- Difluoro(perfluoropropoxy)acetic acid
- 919005-50-8
- DTXSID30844611
- 2,2-Difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid
- SCHEMBL22686695
Molecular Weight
280.04 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2013-05-22
- Modify:2025-01-18
Chemical Structure Depiction
2,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C5HF9O3/c6-2(7,1(15)16)17-5(13,14)3(8,9)4(10,11)12/h(H,15,16)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
HRGUTPUQCCHFHT-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C(=O)(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C3F7OCF2COOH
S80 | PFASGLUEGE | Overview of PFAS Uses | DOI:10.5281/zenodo.5029173
C5HF9O3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
919005-50-8
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
280.04 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
12
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
279.97819735 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
279.97819735 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
46.5 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
306
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2012.11.26)
PFAS -> Per- and Polyfluoroalkyl ether
S80 | PFASGLUEGE | Overview of PFAS Uses | DOI:10.5281/zenodo.5029173
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
• Processing aid [Ref: CAS2019 (US20070015864)]
S80 | PFASGLUEGE | Overview of PFAS Uses | DOI:10.5281/zenodo.5029173
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=HRGUTPUQCCHFHT-UHFFFAOYSA-N
- EPA DSSToxDifluoro(perfluoropropoxy)acetic acidhttps://comptox.epa.gov/dashboard/DTXSID30844611CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- WikidataDifluoro(perfluoropropoxy)acetic acidhttps://www.wikidata.org/wiki/Q81977784
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 440382775https://pubchem.ncbi.nlm.nih.gov/substance/440382775
CONTENTS