2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile

C14H8F3N — CID 119005603

IUPAC2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile
SMILESN#CCc1ccc(-c2cccc(F)c2F)c(F)c1
InChIInChI=1S/C14H8F3N/c15-12-3-1-2-11(14(12)17)10-5-4-9(6-7-18)8-13(10)16/h1-5,8H,6H2
InChIKeyNCEFWPRNEOEAAZ-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.84
Rot. Bonds2

About 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile

2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile (PubChem CID 119005603) has the molecular formula C14H8F3N and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile
PubChem CID119005603
Molecular FormulaC14H8F3N
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile
SMILESN#CCc1ccc(-c2cccc(F)c2F)c(F)c1
InChIInChI=1S/C14H8F3N/c15-12-3-1-2-11(14(12)17)10-5-4-9(6-7-18)8-13(10)16/h1-5,8H,6H2
InChIKeyNCEFWPRNEOEAAZ-UHFFFAOYSA-N
XLogP3.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine
CID 118803927
N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine
CID 81447354
2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 133094154
2-[4-(2,5-dihydropyridin-6-yl)-3-fluorophenyl]acetonitrile
CID 150587654
2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile
CID 171396152
2-[2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001914
2-[3-fluoro-4-(3-oxoprop-1-enyl)phenyl]acetonitrile
CID 169459398
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
2,6-bis(2,3-difluorophenyl)-4-fluoropyridine
CID 133088897
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547
2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol
CID 170453866
2-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118996851

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile?
The IUPAC name of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile (CID 119005603) is 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile?
The canonical SMILES for 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile is N#CCc1ccc(-c2cccc(F)c2F)c(F)c1.
What is the InChIKey of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile?
The InChIKey is NCEFWPRNEOEAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N/c15-12-3-1-2-11(14(12)17)10-5-4-9(6-7-18)8-13(10)16/h1-5,8H,6H2.
What are the key properties of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile?
2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile has a molecular weight of 247.22 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile is sourced from PubChem (CID 119005603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).