2-(4-Fluorophenyl)cyclopropane-1-carbonyl azide
PubChem CID
71337843
Structure
Molecular Formula
Synonyms
- 113904-00-0
- 2-(4-Fluorophenyl)cyclopropane-1-carbonyl azide
- DTXSID00765501
Molecular Weight
205.19 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2013-05-21
- Modify:2024-12-07
Chemical Structure Depiction
2-(4-fluorophenyl)cyclopropane-1-carbonyl azide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C10H8FN3O/c11-7-3-1-6(2-4-7)8-5-9(8)10(15)13-14-12/h1-4,8-9H,5H2
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
PELYYJJBKKENGQ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C1C(C1C(=O)N=[N+]=[N-])C2=CC=C(C=C2)F
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)
C10H8FN3O
Computed by PubChem 2.1 (PubChem release 2021.05.07)
113904-00-0
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
205.19 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 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
205.06514005 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
205.06514005 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
31.4Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
15
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 3.4.8.18 (PubChem release 2021.05.07)
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
2
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 2021.05.07)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSTox2-(4-Fluorophenyl)cyclopropane-1-carbonyl azidehttps://comptox.epa.gov/dashboard/DTXSID00765501
- Wikidata2-(4-Fluorophenyl)cyclopropane-1-carbonyl azidehttps://www.wikidata.org/wiki/Q82722593
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
CONTENTS