1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone

C14H10FNO2 — CID 54023521

IUPAC1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C14H10FNO2/c15-12-7-6-10(13(17)9-16)8-14(12)18-11-4-2-1-3-5-11/h1-9,16H/b16-9+
InChIKeyLAONRSUVFXUXBP-CXUHLZMHSA-N
MW243.24 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone

1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone (PubChem CID 54023521) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone.

Molecular Properties

Compound Name1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone
PubChem CID54023521
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C14H10FNO2/c15-12-7-6-10(13(17)9-16)8-14(12)18-11-4-2-1-3-5-11/h1-9,16H/b16-9+
InChIKeyLAONRSUVFXUXBP-CXUHLZMHSA-N
XLogP3.45
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone 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

Ethanone, 1-(3-phenoxyphenyl)-
CID 36249
1-(3-(Phenylmethoxy)phenyl)ethan-1-one
CID 98689
3-((4-Fluorobenzyl)oxy)benzaldehyde
CID 735483
Acetonitrile, (m-phenoxyphenyl)oxo-
CID 43787
3-[(2-Fluorobenzyl)oxy]benzaldehyde
CID 784582
3-((3-Fluorobenzyl)oxy)benzaldehyde
CID 891711
1-[3-[(4-Fluorophenyl)methoxy]phenyl]ethanone
CID 9837722
3-Amino-1-[3-[3-(3-aminopropanoyl)phenoxy]phenyl]propan-1-one
CID 57339873
1-[3-[(3-Fluorophenyl)methoxy]phenyl]ethanone
CID 28369337
US10626095, Example 657
CID 116451917
3-Amino-1-(3-(cyclohexylmethoxy)phenyl)propan-1-one
CID 25255403
2,6-Difluoro-3-(4-oxo-4-phenylbutoxy)benzamide
CID 137632928

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone?
The IUPAC name of 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone (CID 54023521) is 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone.
What is the SMILES notation for 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone?
The canonical SMILES for 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone is [H]/N=C/C(=O)c1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone?
The InChIKey is LAONRSUVFXUXBP-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-12-7-6-10(13(17)9-16)8-14(12)18-11-4-2-1-3-5-11/h1-9,16H/b16-9+.
What are the key properties of 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone?
1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone has a molecular weight of 243.24 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-phenoxyphenyl)-2-iminoethanone is sourced from PubChem (CID 54023521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).