2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid

C10H9F3O3 — CID 54594624

IUPAC2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(O)(C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-9(16,8(14)15)6-3-2-4-7(5-6)10(11,12)13/h2-5,16H,1H3,(H,14,15)
InChIKeyXFZJIHDLEUDRJM-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.00
Rot. Bonds2

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

2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 54594624) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID54594624
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(O)(C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-9(16,8(14)15)6-3-2-4-7(5-6)10(11,12)13/h2-5,16H,1H3,(H,14,15)
InChIKeyXFZJIHDLEUDRJM-UHFFFAOYSA-N
XLogP2.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid (CID 54594624) is 2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid is CC(O)(C(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is XFZJIHDLEUDRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-9(16,8(14)15)6-3-2-4-7(5-6)10(11,12)13/h2-5,16H,1H3,(H,14,15).
What are the key properties of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid?
2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 234.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 54594624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).