3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile

C15H11ClFN — CID 82139412

IUPAC3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile
SMILESN#CC(Cc1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C15H11ClFN/c16-14-7-3-1-5-11(14)9-12(10-18)13-6-2-4-8-15(13)17/h1-8,12H,9H2
InChIKeyWOVQVDHGYKBKKP-UHFFFAOYSA-N
MW259.71 g/mol
LogP4.33
Rot. Bonds3

About 3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile

3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile (PubChem CID 82139412) has the molecular formula C15H11ClFN and a molecular weight of 259.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile
PubChem CID82139412
Molecular FormulaC15H11ClFN
Molecular Weight259.71 g/mol
Exact Mass259.06
IUPAC Name3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile
SMILESN#CC(Cc1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C15H11ClFN/c16-14-7-3-1-5-11(14)9-12(10-18)13-6-2-4-8-15(13)17/h1-8,12H,9H2
InChIKeyWOVQVDHGYKBKKP-UHFFFAOYSA-N
XLogP4.33
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140040
3-(2-chlorophenyl)-2-phenylpropanenitrile
CID 82084814
(2S)-3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propanenitrile
CID 94735380
(2S)-2-chloro-3-(2-chlorophenyl)propanenitrile
CID 959169
3-(4-tert-butylphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140123
3-[2-cyano-2-(2-fluorophenyl)ethyl]benzonitrile
CID 82140928
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
5-(4-chlorophenoxy)-2-(2-fluorophenyl)pentanenitrile
CID 82137230
2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile
CID 82139456
3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140609
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
CID 63543762
2-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)ethanol
CID 82802842

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile?
The IUPAC name of 3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile (CID 82139412) is 3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile.
What is the SMILES notation for 3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile?
The canonical SMILES for 3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile is N#CC(Cc1ccccc1Cl)c1ccccc1F.
What is the InChIKey of 3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile?
The InChIKey is WOVQVDHGYKBKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN/c16-14-7-3-1-5-11(14)9-12(10-18)13-6-2-4-8-15(13)17/h1-8,12H,9H2.
What are the key properties of 3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile?
3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile has a molecular weight of 259.71 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile is sourced from PubChem (CID 82139412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).