(E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine

C21H17F3NO2P — CID 162411973

IUPAC(E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3NO2P/c1-16(17-12-14-18(15-13-17)21(22,23)24)25-27-28(26,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b25-16+
InChIKeyWQSRAFOAOLNGRH-PCLIKHOPSA-N
MW403.34 g/mol
LogP5.38
Rot. Bonds5

About (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine

(E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 162411973) has the molecular formula C21H17F3NO2P and a molecular weight of 403.34 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID162411973
Molecular FormulaC21H17F3NO2P
Molecular Weight403.34 g/mol
Exact Mass403.09
IUPAC Name(E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3NO2P/c1-16(17-12-14-18(15-13-17)21(22,23)24)25-27-28(26,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b25-16+
InChIKeyWQSRAFOAOLNGRH-PCLIKHOPSA-N
XLogP5.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.34
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine 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

(E)-N-bis(3-fluorophenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153521989
(E)-N-diphenylphosphoryloxy-1-(2-fluorophenyl)ethanimine
CID 153522001
(E)-N-bis(4-fluorophenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153522002
N-(diphenylphosphinyl)acetophenoneimine
CID 85073507
(E)-N-diphenylphosphoryl-1-phenylethanimine
CID 9944887
(E)-N-diphenylphosphoryl-1-phenylpropan-1-imine
CID 13736338
(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11487569
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)ethanimine
CID 44178551
(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 135079886
(E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine
CID 162411968
(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine
CID 162411972
(E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine
CID 11221276

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 162411973) is (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine is C/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is WQSRAFOAOLNGRH-PCLIKHOPSA-N. The full InChI is InChI=1S/C21H17F3NO2P/c1-16(17-12-14-18(15-13-17)21(22,23)24)25-27-28(26,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b25-16+.
What are the key properties of (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
(E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 403.34 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 162411973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).