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

C20H15F3NOP — CID 13431939

IUPAC(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESO=P(/N=C/c1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15F3NOP/c21-20(22,23)17-13-11-16(12-14-17)15-24-26(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b24-15+
InChIKeyTXQUZSHNTMUFGK-BUVRLJJBSA-N
MW373.31 g/mol
LogP5.05
Rot. Bonds4

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

(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 13431939) has the molecular formula C20H15F3NOP and a molecular weight of 373.31 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID13431939
Molecular FormulaC20H15F3NOP
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESO=P(/N=C/c1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15F3NOP/c21-20(22,23)17-13-11-16(12-14-17)15-24-26(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b24-15+
InChIKeyTXQUZSHNTMUFGK-BUVRLJJBSA-N
XLogP5.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.31
LogP ≤ 55.05
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

P,P-Diphenyl-N-(phenylmethylene)phosphinic amide
CID 608413
2-(Diphenylphosphino)benzaldehyde oxime
CID 15655459
N-{[2-(Diphenylphosphanyl)phenyl]methylidene}hydroxylamine
CID 71317484
1,2-Bis[4-(trifluoromethyl)benzylidene]hydrazine
CID 139071087
(E)-N-Benzylidene-P,P-diphenylphosphinic amide
CID 9603698
N-[2-(Diphenylphosphino)benzylidene]hydroxylamine
CID 98043674
1-(Diphenylphosphinoyl)-4,4,4-trifluoro-1-phenyl-2-azabut-1-ene
CID 4090491
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)methanimine
CID 11313306
(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11487569
(E)-N-diphenylphosphoryl-1-(2-fluorophenyl)methanimine
CID 52952440
1-(Diphenylphosphinoyl)-4,4,4-trifluoro-3-(tri-fluoromethyl)-1-phenyl-2-azabut-1-ene
CID 129764207
(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine
CID 135076564

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine (CID 13431939) is (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine is O=P(/N=C/c1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is TXQUZSHNTMUFGK-BUVRLJJBSA-N. The full InChI is InChI=1S/C20H15F3NOP/c21-20(22,23)17-13-11-16(12-14-17)15-24-26(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b24-15+.
What are the key properties of (E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine?
(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 373.31 g/mol, XLogP of 5.05, 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]methanimine is sourced from PubChem (CID 13431939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).