3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid

C11H13FO3 — CID 117302932

IUPAC3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid
SMILESCOc1cccc(CF)c1CCC(=O)O
InChIInChI=1S/C11H13FO3/c1-15-10-4-2-3-8(7-12)9(10)5-6-11(13)14/h2-4H,5-7H2,1H3,(H,13,14)
InChIKeyVJFVQUPBVORXFL-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.18
Rot. Bonds5

About 3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid

3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid (PubChem CID 117302932) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid
PubChem CID117302932
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid
SMILESCOc1cccc(CF)c1CCC(=O)O
InChIInChI=1S/C11H13FO3/c1-15-10-4-2-3-8(7-12)9(10)5-6-11(13)14/h2-4H,5-7H2,1H3,(H,13,14)
InChIKeyVJFVQUPBVORXFL-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethyl-3-methoxyphenyl)propanoic acid
CID 117297447
4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid
CID 115006348
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
CID 84666859
3-(2-acetamido-3-methoxyphenyl)propanoic acid
CID 105498839
4-(2-benzyl-3-methoxyphenyl)butanoic acid
CID 22324958
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
2-(2-carboxyethyl)-6-fluoro-3-methoxybenzoic acid
CID 82159379
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
2-(2-ethyl-6-methoxyphenyl)ethanol
CID 143738643
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
7-(2-methoxyphenyl)heptanoic acid
CID 59451681

Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid?
The IUPAC name of 3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid (CID 117302932) is 3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid.
What is the SMILES notation for 3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid?
The canonical SMILES for 3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid is COc1cccc(CF)c1CCC(=O)O.
What is the InChIKey of 3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid?
The InChIKey is VJFVQUPBVORXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-15-10-4-2-3-8(7-12)9(10)5-6-11(13)14/h2-4H,5-7H2,1H3,(H,13,14).
What are the key properties of 3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid?
3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid is sourced from PubChem (CID 117302932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).