2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile

C15H10F4N2 — CID 60990310

IUPAC2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F4N2/c16-12-5-2-6-13(8-12)21-14(9-20)10-3-1-4-11(7-10)15(17,18)19/h1-8,14,21H
InChIKeyZGIVBKVQXAWCIY-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.52
Rot. Bonds3

About 2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile

2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 60990310) has the molecular formula C15H10F4N2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
PubChem CID60990310
Molecular FormulaC15H10F4N2
Molecular Weight294.25 g/mol
Exact Mass294.08
IUPAC Name2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F4N2/c16-12-5-2-6-13(8-12)21-14(9-20)10-3-1-4-11(7-10)15(17,18)19/h1-8,14,21H
InChIKeyZGIVBKVQXAWCIY-UHFFFAOYSA-N
XLogP4.52
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile
CID 129394744
2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 55090776
2-(3-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60990349
2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile
CID 101120853
(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
CID 6925354
2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886838
2-[cyano-(3-fluoroanilino)methyl]benzonitrile
CID 107936311
2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile
CID 54887451
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile (CID 60990310) is 2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile is N#CC(Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is ZGIVBKVQXAWCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2/c16-12-5-2-6-13(8-12)21-14(9-20)10-3-1-4-11(7-10)15(17,18)19/h1-8,14,21H.
What are the key properties of 2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 294.25 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 60990310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).