(Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid

C6H5FN2O2 — CID 10655400

IUPAC(Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid
SMILESO=C(O)/C(F)=C/c1cnc[nH]1
InChIInChI=1S/C6H5FN2O2/c7-5(6(10)11)1-4-2-8-3-9-4/h1-3H,(H,8,9)(H,10,11)/b5-1-
InChIKeyHVHBPCATYMSEEE-KTAJNNJTSA-N
MW156.12 g/mol
LogP0.80
Rot. Bonds2

About (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid

(Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid (PubChem CID 10655400) has the molecular formula C6H5FN2O2 and a molecular weight of 156.12 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid
PubChem CID10655400
Molecular FormulaC6H5FN2O2
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Name(Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid
SMILESO=C(O)/C(F)=C/c1cnc[nH]1
InChIInChI=1S/C6H5FN2O2/c7-5(6(10)11)1-4-2-8-3-9-4/h1-3H,(H,8,9)(H,10,11)/b5-1-
InChIKeyHVHBPCATYMSEEE-KTAJNNJTSA-N
XLogP0.80
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic 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 (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid (CID 10655400) is (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid is O=C(O)/C(F)=C/c1cnc[nH]1.
What is the InChIKey of (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid?
The InChIKey is HVHBPCATYMSEEE-KTAJNNJTSA-N. The full InChI is InChI=1S/C6H5FN2O2/c7-5(6(10)11)1-4-2-8-3-9-4/h1-3H,(H,8,9)(H,10,11)/b5-1-.
What are the key properties of (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid?
(Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid has a molecular weight of 156.12 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid is sourced from PubChem (CID 10655400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).