2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid

C9H9F3O2S — CID 131047072

IUPAC2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C9H9F3O2S/c1-8(2,7(13)14)5-3-4-6(15-5)9(10,11)12/h3-4H,1-2H3,(H,13,14)
InChIKeyMLWHMDCYFOWRDR-UHFFFAOYSA-N
MW238.23 g/mol
LogP3.13
Rot. Bonds2

About 2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid

2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid (PubChem CID 131047072) has the molecular formula C9H9F3O2S and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid
PubChem CID131047072
Molecular FormulaC9H9F3O2S
Molecular Weight238.23 g/mol
Exact Mass238.03
IUPAC Name2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C9H9F3O2S/c1-8(2,7(13)14)5-3-4-6(15-5)9(10,11)12/h3-4H,1-2H3,(H,13,14)
InChIKeyMLWHMDCYFOWRDR-UHFFFAOYSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid (CID 131047072) is 2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid is CC(C)(C(=O)O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid?
The InChIKey is MLWHMDCYFOWRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2S/c1-8(2,7(13)14)5-3-4-6(15-5)9(10,11)12/h3-4H,1-2H3,(H,13,14).
What are the key properties of 2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid?
2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid has a molecular weight of 238.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid is sourced from PubChem (CID 131047072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).