(E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine

C22H15F3IN — CID 102174033

IUPAC(E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
SMILESFC(F)(F)c1ccc(C(/C=C/c2ccccc2)=N/c2ccccc2I)cc1
InChIInChI=1S/C22H15F3IN/c23-22(24,25)18-13-11-17(12-14-18)20(15-10-16-6-2-1-3-7-16)27-21-9-5-4-8-19(21)26/h1-15H/b15-10+,27-20+
InChIKeyCAIISHCGLHHYTK-YSQSWSNSSA-N
MW477.27 g/mol
LogP7.14
Rot. Bonds4

About (E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine

(E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine (PubChem CID 102174033) has the molecular formula C22H15F3IN and a molecular weight of 477.27 g/mol. Its IUPAC name is (E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
PubChem CID102174033
Molecular FormulaC22H15F3IN
Molecular Weight477.27 g/mol
Exact Mass477.02
IUPAC Name(E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
SMILESFC(F)(F)c1ccc(C(/C=C/c2ccccc2)=N/c2ccccc2I)cc1
InChIInChI=1S/C22H15F3IN/c23-22(24,25)18-13-11-17(12-14-18)20(15-10-16-6-2-1-3-7-16)27-21-9-5-4-8-19(21)26/h1-15H/b15-10+,27-20+
InChIKeyCAIISHCGLHHYTK-YSQSWSNSSA-N
XLogP7.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.27
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine
CID 102368885
(E)-N-(2-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
CID 87603704
1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine
CID 102082770
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
2,2,2-trifluoro-N-(2-iodophenyl)ethanimidoyl chloride
CID 23131652
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970696
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
CID 101352816
CID 101352816
(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
CID 102344328
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The IUPAC name of (E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine (CID 102174033) is (E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine.
What is the SMILES notation for (E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The canonical SMILES for (E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine is FC(F)(F)c1ccc(C(/C=C/c2ccccc2)=N/c2ccccc2I)cc1.
What is the InChIKey of (E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The InChIKey is CAIISHCGLHHYTK-YSQSWSNSSA-N. The full InChI is InChI=1S/C22H15F3IN/c23-22(24,25)18-13-11-17(12-14-18)20(15-10-16-6-2-1-3-7-16)27-21-9-5-4-8-19(21)26/h1-15H/b15-10+,27-20+.
What are the key properties of (E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine?
(E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine has a molecular weight of 477.27 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine is sourced from PubChem (CID 102174033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).