(2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile

C14H8F4N2 — CID 129394744

IUPAC(2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile
SMILESN#C[C@H](Nc1cccc(F)c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H8F4N2/c15-8-2-1-3-10(4-8)20-13(7-19)14-11(17)5-9(16)6-12(14)18/h1-6,13,20H/t13-/m0/s1
InChIKeyRUUVXUWLXLWSRR-ZDUSSCGKSA-N
MW280.22 g/mol
LogP3.92
Rot. Bonds3

About (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile

(2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile (PubChem CID 129394744) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile
PubChem CID129394744
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name(2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile
SMILESN#C[C@H](Nc1cccc(F)c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H8F4N2/c15-8-2-1-3-10(4-8)20-13(7-19)14-11(17)5-9(16)6-12(14)18/h1-6,13,20H/t13-/m0/s1
InChIKeyRUUVXUWLXLWSRR-ZDUSSCGKSA-N
XLogP3.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)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-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055378
2-[cyano-(3-fluoroanilino)methyl]benzonitrile
CID 107936311
2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886838
2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686150
2-(3-bromo-4-fluorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886516
2-(3,5-dimethoxyphenyl)-2-(3-fluoroanilino)acetonitrile
CID 60990264
2-(4-bromothiophen-2-yl)-2-(3-fluoroanilino)acetonitrile
CID 61346419
2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 60990310
2-(3-bromothiophen-2-yl)-2-(3-fluoroanilino)acetonitrile
CID 115380533
2-(3-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60990349
2-(1-benzothiophen-3-yl)-2-(3-fluoroanilino)acetonitrile
CID 62699810
2-(3-fluoroanilino)-4,4-dimethylpentanenitrile
CID 62952128

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile?
The IUPAC name of (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile (CID 129394744) is (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile.
What is the SMILES notation for (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile?
The canonical SMILES for (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile is N#C[C@H](Nc1cccc(F)c1)c1c(F)cc(F)cc1F.
What is the InChIKey of (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile?
The InChIKey is RUUVXUWLXLWSRR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H8F4N2/c15-8-2-1-3-10(4-8)20-13(7-19)14-11(17)5-9(16)6-12(14)18/h1-6,13,20H/t13-/m0/s1.
What are the key properties of (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile?
(2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile has a molecular weight of 280.22 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile is sourced from PubChem (CID 129394744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).