2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid

C8H7F3O2S — CID 130922376

IUPAC2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid
SMILESCC(C(=O)O)c1ccsc1C(F)(F)F
InChIInChI=1S/C8H7F3O2S/c1-4(7(12)13)5-2-3-14-6(5)8(9,10)11/h2-4H,1H3,(H,12,13)
InChIKeyLNJSZBWGRROXPM-UHFFFAOYSA-N
MW224.20 g/mol
LogP2.95
Rot. Bonds2

About 2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid

2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid (PubChem CID 130922376) has the molecular formula C8H7F3O2S and a molecular weight of 224.20 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid
PubChem CID130922376
Molecular FormulaC8H7F3O2S
Molecular Weight224.20 g/mol
Exact Mass224.01
IUPAC Name2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid
SMILESCC(C(=O)O)c1ccsc1C(F)(F)F
InChIInChI=1S/C8H7F3O2S/c1-4(7(12)13)5-2-3-14-6(5)8(9,10)11/h2-4H,1H3,(H,12,13)
InChIKeyLNJSZBWGRROXPM-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid?
The IUPAC name of 2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid (CID 130922376) is 2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid is CC(C(=O)O)c1ccsc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid?
The InChIKey is LNJSZBWGRROXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2S/c1-4(7(12)13)5-2-3-14-6(5)8(9,10)11/h2-4H,1H3,(H,12,13).
What are the key properties of 2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid?
2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid has a molecular weight of 224.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)thiophen-3-yl]propanoic acid is sourced from PubChem (CID 130922376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).