2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile

C15H12F2N2 — CID 78911019

IUPAC2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1ccc(F)cc1)c1cccc(F)c1C#N
InChIInChI=1S/C15H12F2N2/c1-19(10-11-5-7-12(16)8-6-11)15-4-2-3-14(17)13(15)9-18/h2-8H,10H2,1H3
InChIKeyWWAFZEZHQJVWSC-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.47
Rot. Bonds3

About 2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile

2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile (PubChem CID 78911019) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile
PubChem CID78911019
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1ccc(F)cc1)c1cccc(F)c1C#N
InChIInChI=1S/C15H12F2N2/c1-19(10-11-5-7-12(16)8-6-11)15-4-2-3-14(17)13(15)9-18/h2-8H,10H2,1H3
InChIKeyWWAFZEZHQJVWSC-UHFFFAOYSA-N
XLogP3.47
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile (CID 78911019) is 2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile is CN(Cc1ccc(F)cc1)c1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile?
The InChIKey is WWAFZEZHQJVWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-19(10-11-5-7-12(16)8-6-11)15-4-2-3-14(17)13(15)9-18/h2-8H,10H2,1H3.
What are the key properties of 2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile?
2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile has a molecular weight of 258.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 78911019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).