2-hydroxy-2-(trifluoromethyl)butanoic acid

C5H7F3O3 — CID 2775113

IUPAC2-hydroxy-2-(trifluoromethyl)butanoic acid
SMILESCCC(O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-2-4(11,3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)
InChIKeyHPUAIGRGCRIKGO-UHFFFAOYSA-N
MW172.10 g/mol
LogP0.77
Rot. Bonds2

About 2-hydroxy-2-(trifluoromethyl)butanoic acid

2-hydroxy-2-(trifluoromethyl)butanoic acid (PubChem CID 2775113) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is 2-hydroxy-2-(trifluoromethyl)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(trifluoromethyl)butanoic acid
PubChem CID2775113
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name2-hydroxy-2-(trifluoromethyl)butanoic acid
SMILESCCC(O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-2-4(11,3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)
InChIKeyHPUAIGRGCRIKGO-UHFFFAOYSA-N
XLogP0.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(trifluoromethyl)butanoic acid?
The IUPAC name of 2-hydroxy-2-(trifluoromethyl)butanoic acid (CID 2775113) is 2-hydroxy-2-(trifluoromethyl)butanoic acid.
What is the SMILES notation for 2-hydroxy-2-(trifluoromethyl)butanoic acid?
The canonical SMILES for 2-hydroxy-2-(trifluoromethyl)butanoic acid is CCC(O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-hydroxy-2-(trifluoromethyl)butanoic acid?
The InChIKey is HPUAIGRGCRIKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-2-4(11,3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10).
What are the key properties of 2-hydroxy-2-(trifluoromethyl)butanoic acid?
2-hydroxy-2-(trifluoromethyl)butanoic acid has a molecular weight of 172.10 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(trifluoromethyl)butanoic acid is sourced from PubChem (CID 2775113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).