1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile

C10H7F2N — CID 53402677

IUPAC1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C10H7F2N/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2H2
InChIKeyWHYHFQTUOOGNDA-UHFFFAOYSA-N
MW179.17 g/mol
LogP2.52
Rot. Bonds1

About 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile

1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile (PubChem CID 53402677) has the molecular formula C10H7F2N and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile
PubChem CID53402677
Molecular FormulaC10H7F2N
Molecular Weight179.17 g/mol
Exact Mass179.05
IUPAC Name1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C10H7F2N/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2H2
InChIKeyWHYHFQTUOOGNDA-UHFFFAOYSA-N
XLogP2.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-difluorophenyl)acetonitrile;1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile
CID 161146367
1-(3,5-difluorophenyl)cyclopent-3-ene-1-carbonitrile
CID 65353027
1-(3-fluoro-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
CID 84777395
4-cyano-4-(3,5-difluorophenyl)piperidine-1-carboxylic acid
CID 23149913
1-(3,5-difluorophenyl)-3,3-diethylcyclobutane-1-carbonitrile
CID 65004007
4-[3-fluoro-5-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
CID 23149988
3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 18519974
2-chloro-4-[3-(1-cyanocyclopropyl)-5-fluorophenyl]benzoic acid
CID 166027631
1-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonitrile
CID 67179206
1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
CID 137333018
1-(3,4-difluorophenyl)cyclohexane-1-carbonitrile
CID 66685213
1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile (CID 53402677) is 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile is N#CC1(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile?
The InChIKey is WHYHFQTUOOGNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2H2.
What are the key properties of 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile?
1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile has a molecular weight of 179.17 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 53402677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).