1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine

C17H16F3N — CID 166446616

IUPAC1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine
SMILESCC(CC(F)(F)F)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16F3N/c1-13(12-17(18,19)20)21-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyAHXDNQMGGNAIGW-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.86
Rot. Bonds4

About 1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine

1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine (PubChem CID 166446616) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine
PubChem CID166446616
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine
SMILESCC(CC(F)(F)F)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16F3N/c1-13(12-17(18,19)20)21-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyAHXDNQMGGNAIGW-UHFFFAOYSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.86
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

[(Diphenylmethylene)amino]acetonitrile
CID 612957
2,3-Dihydro-5,6-Diphenylpyrazine
CID 256218
2,2-Dimethyl-4,5-diphenyl-2h-imidazole
CID 247140
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
Pyrazine, 2,3-dihydro-5,6-diphenyl-2-methyl-
CID 98291
Benzhydrylidene methylamine
CID 576539
N-[(2,6-dimethylphenyl)(phenyl)methylene]-N-methylamine
CID 1203670
1,2-Ethanediamine, N,N'-bis(1-phenylethylidene)-, (E,E)-
CID 11414406
N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892270
1-(4-Fluorophenyl)ethanone [1-(4-fluorophenyl)ethylidene]hydrazone
CID 5394703
2,3-Diphenyl-6,7-dihydro-5H-1,4-diazepine
CID 44563824
(E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine
CID 58611159

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine?
The IUPAC name of 1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine (CID 166446616) is 1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine.
What is the SMILES notation for 1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine?
The canonical SMILES for 1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine is CC(CC(F)(F)F)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine?
The InChIKey is AHXDNQMGGNAIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-13(12-17(18,19)20)21-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine?
1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine has a molecular weight of 291.32 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-(4,4,4-trifluorobutan-2-yl)methanimine is sourced from PubChem (CID 166446616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).