3-(5-fluoro-2-formylphenyl)prop-2-enoic acid

C10H7FO3 — CID 169460406

IUPAC3-(5-fluoro-2-formylphenyl)prop-2-enoic acid
SMILESO=Cc1ccc(F)cc1C=CC(=O)O
InChIInChI=1S/C10H7FO3/c11-9-3-1-8(6-12)7(5-9)2-4-10(13)14/h1-6H,(H,13,14)
InChIKeyBFDMZDUTJWJEQP-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.74
Rot. Bonds3

About 3-(5-fluoro-2-formylphenyl)prop-2-enoic acid

3-(5-fluoro-2-formylphenyl)prop-2-enoic acid (PubChem CID 169460406) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is 3-(5-fluoro-2-formylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-formylphenyl)prop-2-enoic acid
PubChem CID169460406
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name3-(5-fluoro-2-formylphenyl)prop-2-enoic acid
SMILESO=Cc1ccc(F)cc1C=CC(=O)O
InChIInChI=1S/C10H7FO3/c11-9-3-1-8(6-12)7(5-9)2-4-10(13)14/h1-6H,(H,13,14)
InChIKeyBFDMZDUTJWJEQP-UHFFFAOYSA-N
XLogP1.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-fluoro-2-formylphenyl)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

Related Compounds

3-(4-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460407
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
3-(2-amino-4-fluorophenyl)prop-2-enoic acid
CID 169460317
3-(2-formyl-5-methylphenyl)prop-2-enoic acid
CID 169460428
3-(2-amino-5-fluorophenyl)prop-2-enoic acid
CID 123339785
3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid
CID 169460732
(E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid
CID 46312483
(E)-3-(4-fluoro-2-propylphenyl)prop-2-enoic acid
CID 66856961
(E)-3-(4-formylnaphthalen-1-yl)prop-2-enoic acid
CID 59092286
(2E,4E)-5-(2,4-difluorophenyl)penta-2,4-dienoic acid
CID 116865813
(E)-3-[2-(difluoromethoxy)-5-fluorophenyl]prop-2-enoic acid
CID 103693996
(E)-3-(5-fluoro-2-pyrazol-1-ylphenyl)prop-2-enoic acid
CID 43313206

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-formylphenyl)prop-2-enoic acid?
The IUPAC name of 3-(5-fluoro-2-formylphenyl)prop-2-enoic acid (CID 169460406) is 3-(5-fluoro-2-formylphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(5-fluoro-2-formylphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(5-fluoro-2-formylphenyl)prop-2-enoic acid is O=Cc1ccc(F)cc1C=CC(=O)O.
What is the InChIKey of 3-(5-fluoro-2-formylphenyl)prop-2-enoic acid?
The InChIKey is BFDMZDUTJWJEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c11-9-3-1-8(6-12)7(5-9)2-4-10(13)14/h1-6H,(H,13,14).
What are the key properties of 3-(5-fluoro-2-formylphenyl)prop-2-enoic acid?
3-(5-fluoro-2-formylphenyl)prop-2-enoic acid has a molecular weight of 194.16 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-formylphenyl)prop-2-enoic acid is sourced from PubChem (CID 169460406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).