3-(4-fluorophenyl)-2-hydroxybutanoic acid

C10H11FO3 — CID 66287776

IUPAC3-(4-fluorophenyl)-2-hydroxybutanoic acid
SMILESCC(c1ccc(F)cc1)C(O)C(=O)O
InChIInChI=1S/C10H11FO3/c1-6(9(12)10(13)14)7-2-4-8(11)5-3-7/h2-6,9,12H,1H3,(H,13,14)
InChIKeyIZABLAWTMCLKRB-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.37
Rot. Bonds3

About 3-(4-fluorophenyl)-2-hydroxybutanoic acid

3-(4-fluorophenyl)-2-hydroxybutanoic acid (PubChem CID 66287776) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-hydroxybutanoic acid
PubChem CID66287776
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-(4-fluorophenyl)-2-hydroxybutanoic acid
SMILESCC(c1ccc(F)cc1)C(O)C(=O)O
InChIInChI=1S/C10H11FO3/c1-6(9(12)10(13)14)7-2-4-8(11)5-3-7/h2-6,9,12H,1H3,(H,13,14)
InChIKeyIZABLAWTMCLKRB-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 40787336
(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 10888841
4-(4-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414690
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278
(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 44629566
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061
2-(4-fluoro-N-(4-fluorophenyl)anilino)propanoic acid
CID 139511058
2-(4-fluoroanilino)-3-phenylbutanoic acid
CID 61305744
2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151716551

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-hydroxybutanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-hydroxybutanoic acid (CID 66287776) is 3-(4-fluorophenyl)-2-hydroxybutanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-hydroxybutanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-hydroxybutanoic acid is CC(c1ccc(F)cc1)C(O)C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-2-hydroxybutanoic acid?
The InChIKey is IZABLAWTMCLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6(9(12)10(13)14)7-2-4-8(11)5-3-7/h2-6,9,12H,1H3,(H,13,14).
What are the key properties of 3-(4-fluorophenyl)-2-hydroxybutanoic acid?
3-(4-fluorophenyl)-2-hydroxybutanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-hydroxybutanoic acid is sourced from PubChem (CID 66287776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).