(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile

C15H11F3N2 — CID 6925354

IUPAC(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
SMILESN#C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H11F3N2/c16-15(17,18)12-6-8-13(9-7-12)20-14(10-19)11-4-2-1-3-5-11/h1-9,14,20H/t14-/m1/s1
InChIKeyDEOVSKWFGTXKEN-CQSZACIVSA-N
MW276.26 g/mol
LogP4.38
Rot. Bonds3

About (2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile

(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile (PubChem CID 6925354) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
PubChem CID6925354
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
SMILESN#C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H11F3N2/c16-15(17,18)12-6-8-13(9-7-12)20-14(10-19)11-4-2-1-3-5-11/h1-9,14,20H/t14-/m1/s1
InChIKeyDEOVSKWFGTXKEN-CQSZACIVSA-N
XLogP4.38
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-phenylprop-2-ynyl]-4-(trifluoromethyl)aniline
CID 24879884
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138
2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966
2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 60990310
(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
CID 6925339
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 54893055
2-(3-fluoro-5-methylanilino)-2-phenylacetonitrile
CID 79055050
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
2-(3-bromoanilino)-2-phenylacetonitrile
CID 54887440
2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile?
The IUPAC name of (2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile (CID 6925354) is (2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile.
What is the SMILES notation for (2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile?
The canonical SMILES for (2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile is N#C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile?
The InChIKey is DEOVSKWFGTXKEN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H11F3N2/c16-15(17,18)12-6-8-13(9-7-12)20-14(10-19)11-4-2-1-3-5-11/h1-9,14,20H/t14-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile?
(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile has a molecular weight of 276.26 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile is sourced from PubChem (CID 6925354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).