2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine

C16H14F3N — CID 11323391

IUPAC2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
SMILESC[C@@H](/N=C(\c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H14F3N/c1-12(13-8-4-2-5-9-13)20-15(16(17,18)19)14-10-6-3-7-11-14/h2-12H,1H3/b20-15+/t12-/m1/s1
InChIKeyLHRCUQZGHXVNEB-FTRNENOISA-N
MW277.29 g/mol
LogP4.80
Rot. Bonds3

About 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine

2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine (PubChem CID 11323391) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
PubChem CID11323391
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
SMILESC[C@@H](/N=C(\c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H14F3N/c1-12(13-8-4-2-5-9-13)20-15(16(17,18)19)14-10-6-3-7-11-14/h2-12H,1H3/b20-15+/t12-/m1/s1
InChIKeyLHRCUQZGHXVNEB-FTRNENOISA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine 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

2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride
CID 10966483
N-(1-phenylethyl)benzenecarboximidoyl chloride
CID 14043800
2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 102322180
N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11779029
N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
CID 138963203
2,2,2-trifluoro-1-[1-[2-[N-[(1R)-1-phenylethyl]-C-(trifluoromethyl)carbonimidoyl]naphthalen-1-yl]naphthalen-2-yl]ethanone
CID 102441221
2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine
CID 10912810
1,2,3-tris[(1S)-1-phenylethyl]guanidine
CID 101384426
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
CID 86021252
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
2,2,2-trifluoro-N-octyl-1-phenylethanimine
CID 102263374
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
CID 58667257

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine?
The IUPAC name of 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine (CID 11323391) is 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine?
The canonical SMILES for 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine is C[C@@H](/N=C(\c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine?
The InChIKey is LHRCUQZGHXVNEB-FTRNENOISA-N. The full InChI is InChI=1S/C16H14F3N/c1-12(13-8-4-2-5-9-13)20-15(16(17,18)19)14-10-6-3-7-11-14/h2-12H,1H3/b20-15+/t12-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine?
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine has a molecular weight of 277.29 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine is sourced from PubChem (CID 11323391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).