5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid

C9H8F3NO3S — CID 55025328

IUPAC5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C9H8F3NO3S/c1-13(4-9(10,11)12)7(14)5-2-3-6(17-5)8(15)16/h2-3H,4H2,1H3,(H,15,16)
InChIKeyMHBUTBXJEONIEK-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.08
Rot. Bonds3

About 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid

5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 55025328) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID55025328
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Name5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C9H8F3NO3S/c1-13(4-9(10,11)12)7(14)5-2-3-6(17-5)8(15)16/h2-3H,4H2,1H3,(H,15,16)
InChIKeyMHBUTBXJEONIEK-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic 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 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid (CID 55025328) is 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid is CN(CC(F)(F)F)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is MHBUTBXJEONIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c1-13(4-9(10,11)12)7(14)5-2-3-6(17-5)8(15)16/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid?
5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 267.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 55025328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).