3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid

C11H12F2O3 — CID 105487577

IUPAC3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(F)(F)c1ccccc1O
InChIInChI=1S/C11H12F2O3/c1-10(2,9(15)16)11(12,13)7-5-3-4-6-8(7)14/h3-6,14H,1-2H3,(H,15,16)
InChIKeyARZFEYLALATINO-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.59
Rot. Bonds3

About 3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid

3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid (PubChem CID 105487577) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid
PubChem CID105487577
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(F)(F)c1ccccc1O
InChIInChI=1S/C11H12F2O3/c1-10(2,9(15)16)11(12,13)7-5-3-4-6-8(7)14/h3-6,14H,1-2H3,(H,15,16)
InChIKeyARZFEYLALATINO-UHFFFAOYSA-N
XLogP2.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1-difluoro-2,2-dimethylpropyl)phenol
CID 83855896
2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid
CID 105493906
2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid
CID 84736706
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636
2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one
CID 141323363
ethane;2-(trifluoromethyl)phenol
CID 142291947
2-(trifluoromethyl)phenol
CID 162212145
2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid
CID 84725487
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenol
CID 12871968
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid
CID 115042618
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid (CID 105487577) is 3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid is CC(C)(C(=O)O)C(F)(F)c1ccccc1O.
What is the InChIKey of 3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is ARZFEYLALATINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-10(2,9(15)16)11(12,13)7-5-3-4-6-8(7)14/h3-6,14H,1-2H3,(H,15,16).
What are the key properties of 3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid?
3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 230.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 105487577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).