3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid

C4H5F3O3 — CID 2775125

IUPAC3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)
InChIKeyCTGJACFEVDCYMC-UHFFFAOYSA-N
MW158.07 g/mol
LogP0.38
Rot. Bonds1

About 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid

3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid (PubChem CID 2775125) has the molecular formula C4H5F3O3 and a molecular weight of 158.07 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
PubChem CID2775125
Molecular FormulaC4H5F3O3
Molecular Weight158.07 g/mol
Exact Mass158.02
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)
InChIKeyCTGJACFEVDCYMC-UHFFFAOYSA-N
XLogP0.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
CID 2760712
(2S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid
CID 7019028
2-Hydroxy-2-(trifluoromethyl)butyric acid
CID 2775113
Methyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 13384224
4,4,4-Trifluoro-2-hydroxy-2-methylbutanoic acid
CID 87600781
4,4-Difluoro-2-hydroxy-2-methylbutanoic acid
CID 129994633
Sodium 3,3-difluoro-2-hydroxy-2-methylpropanoate
CID 154853241
(2S)-2-hydroxy-2-(trifluoromethyl)butanoic acid
CID 7019024
alpha-Hydroxyisobutyric acid, trifluoroacetate
CID 91721711
3,3,3-Trifluoro-2-methoxy-2-methylpropanoic acid
CID 9834081
(2S)-4,4,4-trifluoro-2-hydroxy-2-methylbutanoic acid
CID 15487562
(2R)-2-hydroxy-2-(trifluoromethyl)butanoic acid
CID 7202628

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid (CID 2775125) is 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid is CC(O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid?
The InChIKey is CTGJACFEVDCYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid?
3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid has a molecular weight of 158.07 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 2775125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).