2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile

C15H9F4N — CID 46313415

IUPAC2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CCc1ccc(-c2cccc(F)c2)cc1C(F)(F)F
InChIInChI=1S/C15H9F4N/c16-13-3-1-2-11(8-13)12-5-4-10(6-7-20)14(9-12)15(17,18)19/h1-5,8-9H,6H2
InChIKeyRYQYPJFNUYTVDL-UHFFFAOYSA-N
MW279.24 g/mol
LogP4.58
Rot. Bonds2

About 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile

2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 46313415) has the molecular formula C15H9F4N and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile
PubChem CID46313415
Molecular FormulaC15H9F4N
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CCc1ccc(-c2cccc(F)c2)cc1C(F)(F)F
InChIInChI=1S/C15H9F4N/c16-13-3-1-2-11(8-13)12-5-4-10(6-7-20)14(9-12)15(17,18)19/h1-5,8-9H,6H2
InChIKeyRYQYPJFNUYTVDL-UHFFFAOYSA-N
XLogP4.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]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

1-(chloromethyl)-4-(3-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46313337
2-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134623086
4-(3-fluorophenyl)-2-(trifluoromethyl)phenol
CID 46314050
2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870263
2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134630126
2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 131869822
2-[2-fluoro-4,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 118851669
2-[5-(3-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869910
2-[5-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 118836007
[5-(3-fluorophenyl)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870235
2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 133089773

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile (CID 46313415) is 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile is N#CCc1ccc(-c2cccc(F)c2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is RYQYPJFNUYTVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N/c16-13-3-1-2-11(8-13)12-5-4-10(6-7-20)14(9-12)15(17,18)19/h1-5,8-9H,6H2.
What are the key properties of 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile?
2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 279.24 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 46313415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).