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

C21H17F3NOP — CID 135079886

IUPAC(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\P(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3NOP/c1-16(17-12-14-18(15-13-17)21(22,23)24)25-27(26,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b25-16+
InChIKeyAOBRSZIPAHBFPN-PCLIKHOPSA-N
MW387.34 g/mol
LogP5.44
Rot. Bonds4

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

(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 135079886) has the molecular formula C21H17F3NOP and a molecular weight of 387.34 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID135079886
Molecular FormulaC21H17F3NOP
Molecular Weight387.34 g/mol
Exact Mass387.10
IUPAC Name(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\P(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3NOP/c1-16(17-12-14-18(15-13-17)21(22,23)24)25-27(26,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b25-16+
InChIKeyAOBRSZIPAHBFPN-PCLIKHOPSA-N
XLogP5.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.34
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-diphenylphosphoryloxy-1-(2-fluorophenyl)ethanimine
CID 153522001
N-(diphenylphosphinyl)acetophenoneimine
CID 85073507
(E)-N-diphenylphosphoryl-1-phenylethanimine
CID 9944887
(E)-N-diphenylphosphoryl-1-phenylpropan-1-imine
CID 13736338
1-(Diphenylphosphinoyl)-4,4,4-trifluoro-1-phenyl-2-azabut-1-ene
CID 4090491
(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11487569
(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine
CID 13431939
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)ethanimine
CID 44178551
(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
CID 71528482
(4-Methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine
CID 135053562
(E)-N-diphenylphosphinothioyl-1-(2-fluorophenyl)ethanimine
CID 135071957
(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine
CID 162411972

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 135079886) is (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine is C/C(=N\P(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is AOBRSZIPAHBFPN-PCLIKHOPSA-N. The full InChI is InChI=1S/C21H17F3NOP/c1-16(17-12-14-18(15-13-17)21(22,23)24)25-27(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-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine?
(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 387.34 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 135079886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).