3,3,3-trifluoro-2,2-dimethylpropanoic acid

C5H7F3O2 — CID 19867367

IUPAC3,3,3-trifluoro-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10)
InChIKeyVMFSJVUPIXOCFO-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.66
Rot. Bonds1

About 3,3,3-trifluoro-2,2-dimethylpropanoic acid

3,3,3-trifluoro-2,2-dimethylpropanoic acid (PubChem CID 19867367) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethylpropanoic acid
PubChem CID19867367
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name3,3,3-trifluoro-2,2-dimethylpropanoic acid
SMILESCC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10)
InChIKeyVMFSJVUPIXOCFO-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-2,2-dimethylpropanoic 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-2,2-dimethylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethylpropanoic acid (CID 19867367) is 3,3,3-trifluoro-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethylpropanoic acid is CC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethylpropanoic acid?
The InChIKey is VMFSJVUPIXOCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10).
What are the key properties of 3,3,3-trifluoro-2,2-dimethylpropanoic acid?
3,3,3-trifluoro-2,2-dimethylpropanoic acid has a molecular weight of 156.10 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethylpropanoic acid is sourced from PubChem (CID 19867367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).