1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine

C21H17F3NOP — CID 4090491

IUPAC1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine
SMILESO=P(/C(=N/CC(F)(F)F)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17F3NOP/c22-21(23,24)16-25-20(17-10-4-1-5-11-17)27(26,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/b25-20+
InChIKeyFTGPOFSZYRPWGG-LKUDQCMESA-N
MW387.34 g/mol
LogP5.01
Rot. Bonds5

About 1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine

1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine (PubChem CID 4090491) has the molecular formula C21H17F3NOP and a molecular weight of 387.34 g/mol. Its IUPAC name is 1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine.

Molecular Properties

Compound Name1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine
PubChem CID4090491
Molecular FormulaC21H17F3NOP
Molecular Weight387.34 g/mol
Exact Mass387.10
IUPAC Name1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine
SMILESO=P(/C(=N/CC(F)(F)F)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17F3NOP/c22-21(23,24)16-25-20(17-10-4-1-5-11-17)27(26,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/b25-20+
InChIKeyFTGPOFSZYRPWGG-LKUDQCMESA-N
XLogP5.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.34
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
(E)-N-Benzylidene-P,P-diphenylphosphinic amide
CID 9603698
[Diazo(phenyl)methyl](oxo)diphenyl-lambda~5~-phosphane
CID 12615609
N-[2-(Diphenylphosphino)benzylidene]hydroxylamine
CID 98043674
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)methanimine
CID 11313306
(2-Diphenylphosphanylphenyl)methylidene-dimethylazanium;trifluoromethanesulfonate
CID 11397186
(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine
CID 13431939
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)ethanimine
CID 44178551
(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

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine?
The IUPAC name of 1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine (CID 4090491) is 1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine.
What is the SMILES notation for 1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine?
The canonical SMILES for 1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine is O=P(/C(=N/CC(F)(F)F)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine?
The InChIKey is FTGPOFSZYRPWGG-LKUDQCMESA-N. The full InChI is InChI=1S/C21H17F3NOP/c22-21(23,24)16-25-20(17-10-4-1-5-11-17)27(26,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/b25-20+.
What are the key properties of 1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine?
1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine has a molecular weight of 387.34 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-1-phenyl-N-(2,2,2-trifluoroethyl)methanimine is sourced from PubChem (CID 4090491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).