3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid

C10H10F4O2S — CID 68909132

IUPAC3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1sc(C(F)(F)F)cc1F
InChIInChI=1S/C10H10F4O2S/c1-9(2,4-7(15)16)8-5(11)3-6(17-8)10(12,13)14/h3H,4H2,1-2H3,(H,15,16)
InChIKeyMZOQIRSVGZLKTI-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.66
Rot. Bonds3

About 3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid

3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid (PubChem CID 68909132) has the molecular formula C10H10F4O2S and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid
PubChem CID68909132
Molecular FormulaC10H10F4O2S
Molecular Weight270.25 g/mol
Exact Mass270.03
IUPAC Name3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1sc(C(F)(F)F)cc1F
InChIInChI=1S/C10H10F4O2S/c1-9(2,4-7(15)16)8-5(11)3-6(17-8)10(12,13)14/h3H,4H2,1-2H3,(H,15,16)
InChIKeyMZOQIRSVGZLKTI-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic 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-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid?
The IUPAC name of 3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid (CID 68909132) is 3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid.
What is the SMILES notation for 3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid?
The canonical SMILES for 3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid is CC(C)(CC(=O)O)c1sc(C(F)(F)F)cc1F.
What is the InChIKey of 3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid?
The InChIKey is MZOQIRSVGZLKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O2S/c1-9(2,4-7(15)16)8-5(11)3-6(17-8)10(12,13)14/h3H,4H2,1-2H3,(H,15,16).
What are the key properties of 3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid?
3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid has a molecular weight of 270.25 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(trifluoromethyl)thiophen-2-yl]-3-methylbutanoic acid is sourced from PubChem (CID 68909132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).