3-fluoro-2-(3-methoxyphenyl)butanoic acid

C11H13FO3 — CID 105465777

IUPAC3-fluoro-2-(3-methoxyphenyl)butanoic acid
SMILESCOc1cccc(C(C(=O)O)C(C)F)c1
InChIInChI=1S/C11H13FO3/c1-7(12)10(11(13)14)8-4-3-5-9(6-8)15-2/h3-7,10H,1-2H3,(H,13,14)
InChIKeyIOUSDCOPYPKTOT-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.22
Rot. Bonds4

About 3-fluoro-2-(3-methoxyphenyl)butanoic acid

3-fluoro-2-(3-methoxyphenyl)butanoic acid (PubChem CID 105465777) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-fluoro-2-(3-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-fluoro-2-(3-methoxyphenyl)butanoic acid
PubChem CID105465777
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-fluoro-2-(3-methoxyphenyl)butanoic acid
SMILESCOc1cccc(C(C(=O)O)C(C)F)c1
InChIInChI=1S/C11H13FO3/c1-7(12)10(11(13)14)8-4-3-5-9(6-8)15-2/h3-7,10H,1-2H3,(H,13,14)
InChIKeyIOUSDCOPYPKTOT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
3-fluoro-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 105465807
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-amino-3-fluoro-3-(3-methoxyphenyl)propanoic acid
CID 105466535
2-(3-chlorophenyl)-3-fluorobutanoic acid
CID 105470514
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methoxyphenyl)butanoic acid?
The IUPAC name of 3-fluoro-2-(3-methoxyphenyl)butanoic acid (CID 105465777) is 3-fluoro-2-(3-methoxyphenyl)butanoic acid.
What is the SMILES notation for 3-fluoro-2-(3-methoxyphenyl)butanoic acid?
The canonical SMILES for 3-fluoro-2-(3-methoxyphenyl)butanoic acid is COc1cccc(C(C(=O)O)C(C)F)c1.
What is the InChIKey of 3-fluoro-2-(3-methoxyphenyl)butanoic acid?
The InChIKey is IOUSDCOPYPKTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7(12)10(11(13)14)8-4-3-5-9(6-8)15-2/h3-7,10H,1-2H3,(H,13,14).
What are the key properties of 3-fluoro-2-(3-methoxyphenyl)butanoic acid?
3-fluoro-2-(3-methoxyphenyl)butanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-methoxyphenyl)butanoic acid is sourced from PubChem (CID 105465777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).