(E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine

C12H17FNO3P — CID 46188620

IUPAC(E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine
SMILESCCOP(=O)(C/N=C/c1ccc(F)cc1)OCC
InChIInChI=1S/C12H17FNO3P/c1-3-16-18(15,17-4-2)10-14-9-11-5-7-12(13)8-6-11/h5-9H,3-4,10H2,1-2H3/b14-9+
InChIKeyLYIOBHRQQRFFFW-NTEUORMPSA-N
MW273.24 g/mol
LogP3.47
Rot. Bonds7

About (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine

(E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine (PubChem CID 46188620) has the molecular formula C12H17FNO3P and a molecular weight of 273.24 g/mol. Its IUPAC name is (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine
PubChem CID46188620
Molecular FormulaC12H17FNO3P
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name(E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine
SMILESCCOP(=O)(C/N=C/c1ccc(F)cc1)OCC
InChIInChI=1S/C12H17FNO3P/c1-3-16-18(15,17-4-2)10-14-9-11-5-7-12(13)8-6-11/h5-9H,3-4,10H2,1-2H3/b14-9+
InChIKeyLYIOBHRQQRFFFW-NTEUORMPSA-N
XLogP3.47
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.47
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'}

Analyze (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-diethoxyphosphorylpropan-2-yl)-1-phenylmethanimine oxide
CID 9948221
N-(2-diethoxyphosphorylpropan-2-yl)-1-[2-(trifluoromethyl)phenyl]methanimine oxide
CID 127048815
N-(diethoxyphosphorylmethyl)-1-phenylmethanimine
CID 2773681
Diethyl-N-benzylideneaminomethylphosphonate
CID 9582088
(E)-diethyl (1-(benzylideneamino)-2,2,2-trifluoroethyl)phosphonate
CID 6246074
(NE)-N-[diethoxyphosphoryl-(4-fluorophenyl)methylidene]hydroxylamine
CID 10934662
(E)-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)methanimine
CID 11850982
(NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine
CID 71483548
N-[(e)-(2-fluorophenyl)methylidene]-3-(vinyl-oxy)propan-1-amine
CID 129756118
N-[(e)-(4-fluorophenyl)methylidene]-3-(vinyl-oxy)propan-1-amine
CID 129756226
1-(Diethoxyphosphinoyl)-4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)-2-azabut-1-ene
CID 129764241
a-(Benzylideneamino)trifluoroethylphosphonate
CID 129764986

Frequently Asked Questions

What is the IUPAC name of (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine?
The IUPAC name of (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine (CID 46188620) is (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine?
The canonical SMILES for (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine is CCOP(=O)(C/N=C/c1ccc(F)cc1)OCC.
What is the InChIKey of (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine?
The InChIKey is LYIOBHRQQRFFFW-NTEUORMPSA-N. The full InChI is InChI=1S/C12H17FNO3P/c1-3-16-18(15,17-4-2)10-14-9-11-5-7-12(13)8-6-11/h5-9H,3-4,10H2,1-2H3/b14-9+.
What are the key properties of (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine?
(E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine has a molecular weight of 273.24 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(diethoxyphosphorylmethyl)-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 46188620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).