5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid

C17H15F2NO3 — CID 57003897

IUPAC5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid
SMILES[H]/N=C(\CCC(=O)O)C(c1cccc(F)c1)c1cc(F)ccc1O
InChIInChI=1S/C17H15F2NO3/c18-11-3-1-2-10(8-11)17(14(20)5-7-16(22)23)13-9-12(19)4-6-15(13)21/h1-4,6,8-9,17,20-21H,5,7H2,(H,22,23)/b20-14+
InChIKeyUZJROVFLPVNDJU-XSFVSMFZSA-N
MW319.31 g/mol
LogP3.69
Rot. Bonds6

About 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid

5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid (PubChem CID 57003897) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid
PubChem CID57003897
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid
SMILES[H]/N=C(\CCC(=O)O)C(c1cccc(F)c1)c1cc(F)ccc1O
InChIInChI=1S/C17H15F2NO3/c18-11-3-1-2-10(8-11)17(14(20)5-7-16(22)23)13-9-12(19)4-6-15(13)21/h1-4,6,8-9,17,20-21H,5,7H2,(H,22,23)/b20-14+
InChIKeyUZJROVFLPVNDJU-XSFVSMFZSA-N
XLogP3.69
TPSA81.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid?
The IUPAC name of 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid (CID 57003897) is 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid.
What is the SMILES notation for 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid?
The canonical SMILES for 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid is [H]/N=C(\CCC(=O)O)C(c1cccc(F)c1)c1cc(F)ccc1O.
What is the InChIKey of 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid?
The InChIKey is UZJROVFLPVNDJU-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-11-3-1-2-10(8-11)17(14(20)5-7-16(22)23)13-9-12(19)4-6-15(13)21/h1-4,6,8-9,17,20-21H,5,7H2,(H,22,23)/b20-14+.
What are the key properties of 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid?
5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid has a molecular weight of 319.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid is sourced from PubChem (CID 57003897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).