2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine

C16H14F3N — CID 10912810

IUPAC2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine
SMILESFC(F)(F)/C(=N/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)15(14-9-5-2-6-10-14)20-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2/b20-15+
InChIKeyXLVDVZDDDWMNGF-HMMYKYKNSA-N
MW277.29 g/mol
LogP4.28
Rot. Bonds4

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

2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine (PubChem CID 10912810) 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-(2-phenylethyl)ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine
PubChem CID10912810
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine
SMILESFC(F)(F)/C(=N/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)15(14-9-5-2-6-10-14)20-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2/b20-15+
InChIKeyXLVDVZDDDWMNGF-HMMYKYKNSA-N
XLogP4.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-octyl-1-phenylethanimine
CID 102263374
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate
CID 143181605
1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
CID 138963203
2,2,2-trifluoro-N-(2-phenylethyl)ethanimine
CID 68565292
N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide
CID 173065239
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
CID 86021252
N'-(2-phenylethyl)-N-[2-(trifluoromethyl)anilino]propanimidamide
CID 25018844
2-[2-[4-[3-[4-[2-(diaminomethylideneamino)ethyl]phenyl]propyl]phenyl]ethyl]guanidine;bis(2,2,2-trifluoroacetic acid)
CID 159968518
N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
CID 55138229
(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
CID 129452595

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine?
The IUPAC name of 2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine (CID 10912810) is 2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine?
The canonical SMILES for 2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine is FC(F)(F)/C(=N/CCc1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine?
The InChIKey is XLVDVZDDDWMNGF-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H14F3N/c17-16(18,19)15(14-9-5-2-6-10-14)20-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2/b20-15+.
What are the key properties of 2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine?
2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine has a molecular weight of 277.29 g/mol, XLogP of 4.28, 4 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-(2-phenylethyl)ethanimine is sourced from PubChem (CID 10912810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).