3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid

C10H9F3O4 — CID 12060166

IUPAC3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(O)(C(=O)O)C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O4/c1-17-7-4-2-6(3-5-7)9(16,8(14)15)10(11,12)13/h2-5,16H,1H3,(H,14,15)
InChIKeyCLDPTGNQDNEKNP-UHFFFAOYSA-N
MW250.17 g/mol
LogP1.53
Rot. Bonds3

About 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid

3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid (PubChem CID 12060166) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid
PubChem CID12060166
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(O)(C(=O)O)C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O4/c1-17-7-4-2-6(3-5-7)9(16,8(14)15)10(11,12)13/h2-5,16H,1H3,(H,14,15)
InChIKeyCLDPTGNQDNEKNP-UHFFFAOYSA-N
XLogP1.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid (CID 12060166) is 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid is COc1ccc(C(O)(C(=O)O)C(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid?
The InChIKey is CLDPTGNQDNEKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-17-7-4-2-6(3-5-7)9(16,8(14)15)10(11,12)13/h2-5,16H,1H3,(H,14,15).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid?
3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid has a molecular weight of 250.17 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 12060166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).