3',5'-Difluorobenzene acetyl piperidine thioamide
PubChem CID
2758249
Structure
Molecular Formula
Synonyms
- 289677-12-9
- 3',5'-Difluorobenzene acetyl piperidine thioamide
- 2-(3,5-difluorophenyl)-1-(piperidin-1-yl)ethanethione
- 2-(3,5-difluorophenyl)-1-piperidin-1-ylethanethione
- ETHANETHIONE, 2-(3,5-DIFLUOROPHENYL)-1-(1-PIPERIDINYL)-
Molecular Weight
255.33 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-07-19
- Modify:2025-01-18
Chemical Structure Depiction
2-(3,5-difluorophenyl)-1-piperidin-1-ylethanethione
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C13H15F2NS/c14-11-6-10(7-12(15)9-11)8-13(17)16-4-2-1-3-5-16/h6-7,9H,1-5,8H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YUNHSFRXNHXSKH-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CCN(CC1)C(=S)CC2=CC(=CC(=C2)F)F
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H15F2NS
Computed by PubChem 2.2 (PubChem release 2021.10.14)
289677-12-9
- 289677-12-9
- 3',5'-Difluorobenzene acetyl piperidine thioamide
- 2-(3,5-difluorophenyl)-1-(piperidin-1-yl)ethanethione
- 2-(3,5-difluorophenyl)-1-piperidin-1-ylethanethione
- ETHANETHIONE, 2-(3,5-DIFLUOROPHENYL)-1-(1-PIPERIDINYL)-
- 3',5'-Difluorobenzene acetyl piperidone thioamide
- MFCD02179409
- DTXSID60374239
- AKOS027327711
- AB11099
- AS-38792
- CS-0171593
- 2-(3,5-difluoro-phenyl)-1-piperidin-1-yl-ethanethione
- 2-(3,5-Difluorophenyl)-1-(piperidin-1-yl)ethane-1-thione
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
255.33 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
255.08932698 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
255.08932698 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
35.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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
256
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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 2021.10.14)
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
- EPA DSSTox3',5'-Difluorobenzene acetyl piperidine thioamidehttps://comptox.epa.gov/dashboard/DTXSID60374239
- Wikidata3',5'-Difluorobenzene acetyl piperidine thioamidehttps://www.wikidata.org/wiki/Q82162755
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
CONTENTS