3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid

C11H11F3O3 — CID 84706476

IUPAC3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1c(O)cccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H11F3O3/c1-6(10(16)17)5-7-8(11(12,13)14)3-2-4-9(7)15/h2-4,6,15H,5H2,1H3,(H,16,17)
InChIKeyHLJWRCSUFVMPCW-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.67
Rot. Bonds3

About 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid

3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid (PubChem CID 84706476) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid
PubChem CID84706476
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1c(O)cccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H11F3O3/c1-6(10(16)17)5-7-8(11(12,13)14)3-2-4-9(7)15/h2-4,6,15H,5H2,1H3,(H,16,17)
InChIKeyHLJWRCSUFVMPCW-UHFFFAOYSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid (CID 84706476) is 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid is CC(Cc1c(O)cccc1C(F)(F)F)C(=O)O.
What is the InChIKey of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
The InChIKey is HLJWRCSUFVMPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-6(10(16)17)5-7-8(11(12,13)14)3-2-4-9(7)15/h2-4,6,15H,5H2,1H3,(H,16,17).
What are the key properties of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid has a molecular weight of 248.20 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 84706476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).