2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid

C11H10F4O3 — CID 79366706

IUPAC2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid
SMILESCC(O)(c1ccccc1C(F)(F)F)C(F)C(=O)O
InChIInChI=1S/C11H10F4O3/c1-10(18,8(12)9(16)17)6-4-2-3-5-7(6)11(13,14)15/h2-5,8,18H,1H3,(H,16,17)
InChIKeyAJGVIJBDBUEVLZ-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.34
Rot. Bonds3

About 2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid

2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid (PubChem CID 79366706) has the molecular formula C11H10F4O3 and a molecular weight of 266.19 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid
PubChem CID79366706
Molecular FormulaC11H10F4O3
Molecular Weight266.19 g/mol
Exact Mass266.06
IUPAC Name2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid
SMILESCC(O)(c1ccccc1C(F)(F)F)C(F)C(=O)O
InChIInChI=1S/C11H10F4O3/c1-10(18,8(12)9(16)17)6-4-2-3-5-7(6)11(13,14)15/h2-5,8,18H,1H3,(H,16,17)
InChIKeyAJGVIJBDBUEVLZ-UHFFFAOYSA-N
XLogP2.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol
CID 105492277
2-[2-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 62314732
2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid
CID 79366441
2-oxo-N-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 110478382
3-(2-chlorophenyl)-3-fluoro-2-methylbutanoic acid
CID 105488759
4-amino-3-methyl-3-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 66099188
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110460027
(2R)-2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 93280066
2-(2-tert-butylphenyl)-2-fluoroacetic acid
CID 105425453

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid (CID 79366706) is 2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid is CC(O)(c1ccccc1C(F)(F)F)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid?
The InChIKey is AJGVIJBDBUEVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O3/c1-10(18,8(12)9(16)17)6-4-2-3-5-7(6)11(13,14)15/h2-5,8,18H,1H3,(H,16,17).
What are the key properties of 2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid?
2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid has a molecular weight of 266.19 g/mol, XLogP of 2.34, 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-[2-(trifluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 79366706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).