5-(4-fluorophenyl)-3-iminopentanoic acid

C11H12FNO2 — CID 91006646

IUPAC5-(4-fluorophenyl)-3-iminopentanoic acid
SMILES[H]/N=C(/CCc1ccc(F)cc1)CC(=O)O
InChIInChI=1S/C11H12FNO2/c12-9-4-1-8(2-5-9)3-6-10(13)7-11(14)15/h1-2,4-5,13H,3,6-7H2,(H,14,15)/b13-10-
InChIKeyXEECWSZIYTYXBY-RAXLEYEMSA-N
MW209.22 g/mol
LogP2.25
Rot. Bonds5

About 5-(4-fluorophenyl)-3-iminopentanoic acid

5-(4-fluorophenyl)-3-iminopentanoic acid (PubChem CID 91006646) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-iminopentanoic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-iminopentanoic acid
PubChem CID91006646
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name5-(4-fluorophenyl)-3-iminopentanoic acid
SMILES[H]/N=C(/CCc1ccc(F)cc1)CC(=O)O
InChIInChI=1S/C11H12FNO2/c12-9-4-1-8(2-5-9)3-6-10(13)7-11(14)15/h1-2,4-5,13H,3,6-7H2,(H,14,15)/b13-10-
InChIKeyXEECWSZIYTYXBY-RAXLEYEMSA-N
XLogP2.25
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-iminopentanoic acid?
The IUPAC name of 5-(4-fluorophenyl)-3-iminopentanoic acid (CID 91006646) is 5-(4-fluorophenyl)-3-iminopentanoic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-3-iminopentanoic acid?
The canonical SMILES for 5-(4-fluorophenyl)-3-iminopentanoic acid is [H]/N=C(/CCc1ccc(F)cc1)CC(=O)O.
What is the InChIKey of 5-(4-fluorophenyl)-3-iminopentanoic acid?
The InChIKey is XEECWSZIYTYXBY-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-4-1-8(2-5-9)3-6-10(13)7-11(14)15/h1-2,4-5,13H,3,6-7H2,(H,14,15)/b13-10-.
What are the key properties of 5-(4-fluorophenyl)-3-iminopentanoic acid?
5-(4-fluorophenyl)-3-iminopentanoic acid has a molecular weight of 209.22 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-iminopentanoic acid is sourced from PubChem (CID 91006646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).