(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine

C20H17FNO2P — CID 162411972

IUPAC(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H17FNO2P/c1-16(17-12-14-18(21)15-13-17)22-24-25(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b22-16+
InChIKeyYUINQFRCJDXEFU-CJLVFECKSA-N
MW353.33 g/mol
LogP4.50
Rot. Bonds5

About (E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine

(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine (PubChem CID 162411972) has the molecular formula C20H17FNO2P and a molecular weight of 353.33 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine
PubChem CID162411972
Molecular FormulaC20H17FNO2P
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H17FNO2P/c1-16(17-12-14-18(21)15-13-17)22-24-25(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b22-16+
InChIKeyYUINQFRCJDXEFU-CJLVFECKSA-N
XLogP4.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.50
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'}

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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-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
CID 71528482
(E)-N-diphenylphosphinothioyl-1-(2-fluorophenyl)ethanimine
CID 135071957
(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 135079886
(E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine
CID 162411968

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine?
The IUPAC name of (E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine (CID 162411972) is (E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine?
The canonical SMILES for (E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine is C/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine?
The InChIKey is YUINQFRCJDXEFU-CJLVFECKSA-N. The full InChI is InChI=1S/C20H17FNO2P/c1-16(17-12-14-18(21)15-13-17)22-24-25(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b22-16+.
What are the key properties of (E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine?
(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine has a molecular weight of 353.33 g/mol, XLogP of 4.50, 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-fluorophenyl)ethanimine is sourced from PubChem (CID 162411972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).