(E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine

C18H20F2NO3P — CID 11850982

IUPAC(E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine
SMILESCCOP(=O)(OCC)C(/N=C/c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20F2NO3P/c1-3-23-25(22,24-4-2)18(15-7-11-17(20)12-8-15)21-13-14-5-9-16(19)10-6-14/h5-13,18H,3-4H2,1-2H3/b21-13+
InChIKeyCZTFCTUIGKPMQB-FYJGNVAPSA-N
MW367.33 g/mol
LogP5.35
Rot. Bonds8

About (E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine

(E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine (PubChem CID 11850982) has the molecular formula C18H20F2NO3P and a molecular weight of 367.33 g/mol. Its IUPAC name is (E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine
PubChem CID11850982
Molecular FormulaC18H20F2NO3P
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name(E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine
SMILESCCOP(=O)(OCC)C(/N=C/c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20F2NO3P/c1-3-23-25(22,24-4-2)18(15-7-11-17(20)12-8-15)21-13-14-5-9-16(19)10-6-14/h5-13,18H,3-4H2,1-2H3/b21-13+
InChIKeyCZTFCTUIGKPMQB-FYJGNVAPSA-N
XLogP5.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.33
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine?
The IUPAC name of (E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine (CID 11850982) is (E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for (E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine?
The canonical SMILES for (E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine is CCOP(=O)(OCC)C(/N=C/c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine?
The InChIKey is CZTFCTUIGKPMQB-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H20F2NO3P/c1-3-23-25(22,24-4-2)18(15-7-11-17(20)12-8-15)21-13-14-5-9-16(19)10-6-14/h5-13,18H,3-4H2,1-2H3/b21-13+.
What are the key properties of (E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine?
(E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine has a molecular weight of 367.33 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 11850982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).