2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid

C11H13FO3 — CID 117302887

IUPAC2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)cc1CF
InChIInChI=1S/C11H13FO3/c1-7(11(13)14)8-3-4-10(15-2)9(5-8)6-12/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyFNUPRZCTVLESKR-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.35
Rot. Bonds4

About 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid

2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid (PubChem CID 117302887) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
PubChem CID117302887
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)cc1CF
InChIInChI=1S/C11H13FO3/c1-7(11(13)14)8-3-4-10(15-2)9(5-8)6-12/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyFNUPRZCTVLESKR-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic 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

(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
CID 84679029
2-(4-bromo-3-methoxyphenyl)propanoic acid
CID 83733451
2-(4-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117399322
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116845766
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
CID 13075209
methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
CID 58973658
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid?
The IUPAC name of 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid (CID 117302887) is 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid.
What is the SMILES notation for 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid?
The canonical SMILES for 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid is COc1ccc(C(C)C(=O)O)cc1CF.
What is the InChIKey of 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid?
The InChIKey is FNUPRZCTVLESKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7(11(13)14)8-3-4-10(15-2)9(5-8)6-12/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid?
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid is sourced from PubChem (CID 117302887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).