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

C11H13FO3 — CID 84782271

IUPAC3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid
SMILESCC(C)(F)C(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H13FO3/c1-11(2,12)9(10(14)15)7-4-3-5-8(13)6-7/h3-6,9,13H,1-2H3,(H,14,15)
InChIKeyUMYDRWWISLLHMZ-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.31
Rot. Bonds3

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

3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid (PubChem CID 84782271) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid
PubChem CID84782271
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid
SMILESCC(C)(F)C(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H13FO3/c1-11(2,12)9(10(14)15)7-4-3-5-8(13)6-7/h3-6,9,13H,1-2H3,(H,14,15)
InChIKeyUMYDRWWISLLHMZ-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(3-hydroxyphenyl)butanoic acid
CID 105451302
3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 84676780
(3S)-3-cyclopropyl-2-fluoro-3-(3-hydroxyphenyl)-2-methylpropanoic acid
CID 146316709
(2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 11086585
2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid
CID 79366255
(3S)-3-(3-hydroxyphenyl)-2,4-dimethylpentanoic acid
CID 67429644
2-(3-aminophenyl)-3,3-dimethylbutanoic acid
CID 151643541
2-(3-chlorophenyl)-3,3-dimethylbutanoic acid
CID 83823565
benzene-1,3-diol;2,2,2-trifluoroacetic acid
CID 70611467
3-[1-(1-aminocyclopropyl)-2-fluoro-2-methylpropyl]phenol
CID 105480805
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid (CID 84782271) is 3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid is CC(C)(F)C(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid?
The InChIKey is UMYDRWWISLLHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-11(2,12)9(10(14)15)7-4-3-5-8(13)6-7/h3-6,9,13H,1-2H3,(H,14,15).
What are the key properties of 3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid?
3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.31, 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)-3-methylbutanoic acid is sourced from PubChem (CID 84782271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).