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

C10H11FO3 — CID 105451302

IUPAC3-fluoro-2-(3-hydroxyphenyl)butanoic acid
SMILESCC(F)C(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H11FO3/c1-6(11)9(10(13)14)7-3-2-4-8(12)5-7/h2-6,9,12H,1H3,(H,13,14)
InChIKeyWGSZHAFMNDJREA-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.92
Rot. Bonds3

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

3-fluoro-2-(3-hydroxyphenyl)butanoic acid (PubChem CID 105451302) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-fluoro-2-(3-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-fluoro-2-(3-hydroxyphenyl)butanoic acid
PubChem CID105451302
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-fluoro-2-(3-hydroxyphenyl)butanoic acid
SMILESCC(F)C(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H11FO3/c1-6(11)9(10(13)14)7-3-2-4-8(12)5-7/h2-6,9,12H,1H3,(H,13,14)
InChIKeyWGSZHAFMNDJREA-UHFFFAOYSA-N
XLogP1.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-fluorobutanoic acid
CID 105470514
2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid
CID 79366255
(3S)-3-(3-hydroxyphenyl)-2,4-dimethylpentanoic acid
CID 67429644
3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid
CID 84782271
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831
2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid
CID 54947912
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
2-(2-acetamidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 84746870
(3S)-3-(3-hydroxyphenyl)-2-methylheptanoic acid
CID 67428563

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-hydroxyphenyl)butanoic acid?
The IUPAC name of 3-fluoro-2-(3-hydroxyphenyl)butanoic acid (CID 105451302) is 3-fluoro-2-(3-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 3-fluoro-2-(3-hydroxyphenyl)butanoic acid?
The canonical SMILES for 3-fluoro-2-(3-hydroxyphenyl)butanoic acid is CC(F)C(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 3-fluoro-2-(3-hydroxyphenyl)butanoic acid?
The InChIKey is WGSZHAFMNDJREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6(11)9(10(13)14)7-3-2-4-8(12)5-7/h2-6,9,12H,1H3,(H,13,14).
What are the key properties of 3-fluoro-2-(3-hydroxyphenyl)butanoic acid?
3-fluoro-2-(3-hydroxyphenyl)butanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 105451302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).