2-fluoro-3-hydroxy-3-phenylbutanoic acid

C10H11FO3 — CID 79367352

IUPAC2-fluoro-3-hydroxy-3-phenylbutanoic acid
SMILESCC(O)(c1ccccc1)C(F)C(=O)O
InChIInChI=1S/C10H11FO3/c1-10(14,8(11)9(12)13)7-5-3-2-4-6-7/h2-6,8,14H,1H3,(H,12,13)
InChIKeyILODVAYFTBEXSI-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.32
Rot. Bonds3

About 2-fluoro-3-hydroxy-3-phenylbutanoic acid

2-fluoro-3-hydroxy-3-phenylbutanoic acid (PubChem CID 79367352) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3-phenylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3-phenylbutanoic acid
PubChem CID79367352
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-fluoro-3-hydroxy-3-phenylbutanoic acid
SMILESCC(O)(c1ccccc1)C(F)C(=O)O
InChIInChI=1S/C10H11FO3/c1-10(14,8(11)9(12)13)7-5-3-2-4-6-7/h2-6,8,14H,1H3,(H,12,13)
InChIKeyILODVAYFTBEXSI-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid
CID 79366706
3-(9H-fluoren-2-yl)-2-fluoro-3-hydroxybutanoic acid
CID 79369046
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
CID 79367442
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
CID 79366999
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
2-tert-butyl-4-hydroxy-4-phenylpentanoic acid
CID 83139569
3-hydroxy-2-propan-2-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 62397829

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3-phenylbutanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3-phenylbutanoic acid (CID 79367352) is 2-fluoro-3-hydroxy-3-phenylbutanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3-phenylbutanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3-phenylbutanoic acid is CC(O)(c1ccccc1)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-hydroxy-3-phenylbutanoic acid?
The InChIKey is ILODVAYFTBEXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-10(14,8(11)9(12)13)7-5-3-2-4-6-7/h2-6,8,14H,1H3,(H,12,13).
What are the key properties of 2-fluoro-3-hydroxy-3-phenylbutanoic acid?
2-fluoro-3-hydroxy-3-phenylbutanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-3-phenylbutanoic acid is sourced from PubChem (CID 79367352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).