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

C17H15F2NO3 — CID 57232904

IUPAC5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid
SMILES[H]/N=C(\CCC(=O)O)C(c1ccc(F)cc1)c1cc(F)ccc1O
InChIInChI=1S/C17H15F2NO3/c18-11-3-1-10(2-4-11)17(14(20)6-8-16(22)23)13-9-12(19)5-7-15(13)21/h1-5,7,9,17,20-21H,6,8H2,(H,22,23)/b20-14+
InChIKeyIOJXBJIMGPTKAD-XSFVSMFZSA-N
MW319.31 g/mol
LogP3.69
Rot. Bonds6

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

5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid (PubChem CID 57232904) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is 5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid
PubChem CID57232904
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid
SMILES[H]/N=C(\CCC(=O)O)C(c1ccc(F)cc1)c1cc(F)ccc1O
InChIInChI=1S/C17H15F2NO3/c18-11-3-1-10(2-4-11)17(14(20)6-8-16(22)23)13-9-12(19)5-7-15(13)21/h1-5,7,9,17,20-21H,6,8H2,(H,22,23)/b20-14+
InChIKeyIOJXBJIMGPTKAD-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'}

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Related Compounds

11-(((5-Fluoro-2-hydroxyphenyl)phenylmethylene)amino)undecanoic acid monosodium salt
CID 135770204
6-(((5-Fluoro-2-hydroxyphenyl)phenylmethylene)amino)hexanoic acid sodium salt
CID 135770209
p-Hydroxyphenylpyruvic acid imine
CID 88158071
Methyl 2-diazo-4-(5-fluoro-2-hydroxyphenyl)butanoate
CID 102205801
5-[(2-Hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one
CID 91575663
2-[3-Fluoro-4-(4-fluoro-2-hydroxyphenyl)phenyl]propanoic acid
CID 21523029
(3E)-3-[2-(trifluoromethyl)phenoxy]iminocyclohexane-1-carboxylic acid
CID 21569317
3-(3-Fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid
CID 22496037
2-[(3E)-3-[2-(trifluoromethyl)phenoxy]iminocyclohexyl]acetic acid
CID 23341539
2-[3-[2-(Trifluoromethyl)phenoxy]iminocyclohexyl]acetic acid
CID 53722677
3-[2-(Trifluoromethyl)phenoxy]iminocyclohexane-1-carboxylic acid
CID 53960779
2-Fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol
CID 54180387

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid?
The IUPAC name of 5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid (CID 57232904) is 5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid.
What is the SMILES notation for 5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid?
The canonical SMILES for 5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid is [H]/N=C(\CCC(=O)O)C(c1ccc(F)cc1)c1cc(F)ccc1O.
What is the InChIKey of 5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid?
The InChIKey is IOJXBJIMGPTKAD-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-11-3-1-10(2-4-11)17(14(20)6-8-16(22)23)13-9-12(19)5-7-15(13)21/h1-5,7,9,17,20-21H,6,8H2,(H,22,23)/b20-14+.
What are the key properties of 5-(5-fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-4-iminopentanoic acid?
5-(5-fluoro-2-hydroxyphenyl)-5-(4-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-(4-fluorophenyl)-4-iminopentanoic acid is sourced from PubChem (CID 57232904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).