3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid

C11H10F4O4 — CID 102746826

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(COc1ccc(F)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H10F4O4/c1-10(18,9(16)17)5-19-6-2-3-8(12)7(4-6)11(13,14)15/h2-4,18H,5H2,1H3,(H,16,17)
InChIKeyZWUYSKRMWFTNOH-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.06
Rot. Bonds4

About 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid

3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid (PubChem CID 102746826) has the molecular formula C11H10F4O4 and a molecular weight of 282.19 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid
PubChem CID102746826
Molecular FormulaC11H10F4O4
Molecular Weight282.19 g/mol
Exact Mass282.05
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(COc1ccc(F)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H10F4O4/c1-10(18,9(16)17)5-19-6-2-3-8(12)7(4-6)11(13,14)15/h2-4,18H,5H2,1H3,(H,16,17)
InChIKeyZWUYSKRMWFTNOH-UHFFFAOYSA-N
XLogP2.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid
CID 86092479
2-ethoxy-3-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 102747684
[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate
CID 118593360
bis[4-fluoro-3-(trifluoromethyl)phenyl] heptanedioate
CID 118593253
4-(4-bromobutoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 102747039
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroacetate
CID 118593314
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide
CID 15712996
6-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106710554
3-(3-fluoro-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 107168426
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 102747179
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pentanethioamide
CID 102747160

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid (CID 102746826) is 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid is CC(O)(COc1ccc(F)c(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is ZWUYSKRMWFTNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O4/c1-10(18,9(16)17)5-19-6-2-3-8(12)7(4-6)11(13,14)15/h2-4,18H,5H2,1H3,(H,16,17).
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid?
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 282.19 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 102746826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).