1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine

C24H20F3N — CID 102030759

IUPAC1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
SMILESC=CC[C@@H](N=C(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20F3N/c1-2-9-22(18-14-16-21(17-15-18)24(25,26)27)28-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h2-8,10-17,22H,1,9H2/t22-/m1/s1
InChIKeyFQZWNQYLRCRTLV-JOCHJYFZSA-N
MW379.43 g/mol
LogP6.86
Rot. Bonds6

About 1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine

1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine (PubChem CID 102030759) has the molecular formula C24H20F3N and a molecular weight of 379.43 g/mol. Its IUPAC name is 1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
PubChem CID102030759
Molecular FormulaC24H20F3N
Molecular Weight379.43 g/mol
Exact Mass379.15
IUPAC Name1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
SMILESC=CC[C@@H](N=C(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20F3N/c1-2-9-22(18-14-16-21(17-15-18)24(25,26)27)28-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h2-8,10-17,22H,1,9H2/t22-/m1/s1
InChIKeyFQZWNQYLRCRTLV-JOCHJYFZSA-N
XLogP6.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(Trifluoromethyl)benzyl]-1-[4-(Trifluoromethyl)phenyl]methanimine
CID 71722599
N-(4-Phenylbenzylidene)benzylamine
CID 4149947
N-Benzylidene-N-(diphenylmethyl)amine
CID 5461747
2,3-Diphenyl-2H-azirine
CID 140090
2,5-diphenyl-3,4-dihydro-2H-pyrrole
CID 279812
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
Benzylamine, N-(diphenylmethylene)-
CID 290996
1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
CID 10935569
4-[3,5-bis(trifluoromethyl)phenyl]-7-phenyl-5H-benzo[d][2]benzazepine
CID 85614095
5,8-diphenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepine
CID 85614111
7-phenyl-4-[4-(trifluoromethyl)phenyl]-5H-benzo[d][2]benzazepine
CID 85614114
5,8-diphenyl-2,4-bis(trifluoromethyl)-7H-benzo[d][2]benzazepine
CID 86185793

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine?
The IUPAC name of 1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine (CID 102030759) is 1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine.
What is the SMILES notation for 1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine?
The canonical SMILES for 1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine is C=CC[C@@H](N=C(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine?
The InChIKey is FQZWNQYLRCRTLV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20F3N/c1-2-9-22(18-14-16-21(17-15-18)24(25,26)27)28-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h2-8,10-17,22H,1,9H2/t22-/m1/s1.
What are the key properties of 1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine?
1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine has a molecular weight of 379.43 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine is sourced from PubChem (CID 102030759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).