(E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine

C16H11ClF3N — CID 177419498

IUPAC(E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine
SMILESFC(F)(F)/C(Cl)=C(\C=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C16H11ClF3N/c17-15(16(18,19)20)14(12-7-3-1-4-8-12)11-21-13-9-5-2-6-10-13/h1-11H/b15-14-,21-11+
InChIKeyDUIIZNNJXMABAT-DYENBZIJSA-N
MW309.72 g/mol
LogP5.60
Rot. Bonds3

About (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine

(E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine (PubChem CID 177419498) has the molecular formula C16H11ClF3N and a molecular weight of 309.72 g/mol. Its IUPAC name is (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine
PubChem CID177419498
Molecular FormulaC16H11ClF3N
Molecular Weight309.72 g/mol
Exact Mass309.05
IUPAC Name(E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine
SMILESFC(F)(F)/C(Cl)=C(\C=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C16H11ClF3N/c17-15(16(18,19)20)14(12-7-3-1-4-8-12)11-21-13-9-5-2-6-10-13/h1-11H/b15-14-,21-11+
InChIKeyDUIIZNNJXMABAT-DYENBZIJSA-N
XLogP5.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.72
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine 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

(Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine
CID 10902335
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
carbanide;(Z)-4,4,4-trifluoro-1-phenyl-3-phenyliminobut-1-en-1-ol;zirconium(3+)
CID 135967335
(E)-2,3-dichloro-4-phenyliminobut-2-enoic acid
CID 87697990
2,2,2-trifluoro-N-phenylethanimine
CID 86178154
(Z)-1,1,1-trifluoro-4-oxo-3-phenylbut-2-ene-2-thiolate
CID 137279575
3-amino-4,4,4-trifluoro-2-(phenyliminomethyl)but-2-enamide
CID 173494071
1-[2-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340671
dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
CID 135967283
(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol
CID 132542568
4-ethylimino-1,1,1-trifluoro-3-phenylbut-2-en-2-amine
CID 174037599
(Z)-2,3-diphenylbut-2-enedithial
CID 101175637

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine?
The IUPAC name of (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine (CID 177419498) is (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine.
What is the SMILES notation for (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine?
The canonical SMILES for (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine is FC(F)(F)/C(Cl)=C(\C=N\c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine?
The InChIKey is DUIIZNNJXMABAT-DYENBZIJSA-N. The full InChI is InChI=1S/C16H11ClF3N/c17-15(16(18,19)20)14(12-7-3-1-4-8-12)11-21-13-9-5-2-6-10-13/h1-11H/b15-14-,21-11+.
What are the key properties of (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine?
(E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine has a molecular weight of 309.72 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine is sourced from PubChem (CID 177419498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).