2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile

C15H8F2N2 — CID 167304274

IUPAC2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Cc1cccc(F)c1C#N
InChIInChI=1S/C15H8F2N2/c16-14-5-1-3-10(12(14)8-18)7-11-4-2-6-15(17)13(11)9-19/h1-6H,7H2
InChIKeyGYSIKAIMAGSFCE-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.30
Rot. Bonds2

About 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile

2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile (PubChem CID 167304274) has the molecular formula C15H8F2N2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile
PubChem CID167304274
Molecular FormulaC15H8F2N2
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Name2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Cc1cccc(F)c1C#N
InChIInChI=1S/C15H8F2N2/c16-14-5-1-3-10(12(14)8-18)7-11-4-2-6-15(17)13(11)9-19/h1-6H,7H2
InChIKeyGYSIKAIMAGSFCE-UHFFFAOYSA-N
XLogP3.30
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile 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-[[tert-butyl(methyl)amino]methyl]-6-fluorobenzonitrile
CID 134586202
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-[[cyclopropylmethyl(methyl)amino]methyl]-6-fluorobenzonitrile
CID 146425373
2-[2-(chloromethyl)-6-fluorophenoxy]-6-fluorobenzonitrile
CID 114068006
2-fluoro-6-naphthalen-1-ylbenzonitrile
CID 114898445
3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114421
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
2-[(2-aminophenyl)methyl-propylamino]-6-fluorobenzonitrile
CID 60877231
2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile
CID 10801253
2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
CID 67529789
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
N-(2-cyano-3-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740497

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile?
The IUPAC name of 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile (CID 167304274) is 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile is N#Cc1c(F)cccc1Cc1cccc(F)c1C#N.
What is the InChIKey of 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile?
The InChIKey is GYSIKAIMAGSFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2/c16-14-5-1-3-10(12(14)8-18)7-11-4-2-6-15(17)13(11)9-19/h1-6H,7H2.
What are the key properties of 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile?
2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile has a molecular weight of 254.24 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile is sourced from PubChem (CID 167304274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).