2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid

C6H9F3O3 — CID 91926696

IUPAC2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid
SMILESCC(C)C(O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-3(2)5(12,4(10)11)6(7,8)9/h3,12H,1-2H3,(H,10,11)
InChIKeyNGFONSQDXLSELQ-UHFFFAOYSA-N
MW186.13 g/mol
LogP1.02
Rot. Bonds2

About 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid

2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid (PubChem CID 91926696) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid
PubChem CID91926696
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid
SMILESCC(C)C(O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-3(2)5(12,4(10)11)6(7,8)9/h3,12H,1-2H3,(H,10,11)
InChIKeyNGFONSQDXLSELQ-UHFFFAOYSA-N
XLogP1.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid?
The IUPAC name of 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid (CID 91926696) is 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid.
What is the SMILES notation for 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid?
The canonical SMILES for 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid is CC(C)C(O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid?
The InChIKey is NGFONSQDXLSELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-3(2)5(12,4(10)11)6(7,8)9/h3,12H,1-2H3,(H,10,11).
What are the key properties of 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid?
2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid has a molecular weight of 186.13 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid is sourced from PubChem (CID 91926696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).