4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid

C9H10F2O3S — CID 82005014

IUPAC4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1COCC(F)F
InChIInChI=1S/C9H10F2O3S/c1-5-6(3-14-4-8(10)11)2-7(15-5)9(12)13/h2,8H,3-4H2,1H3,(H,12,13)
InChIKeyPTOPNJPXLKZPNE-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.54
Rot. Bonds5

About 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid

4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid (PubChem CID 82005014) has the molecular formula C9H10F2O3S and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid
PubChem CID82005014
Molecular FormulaC9H10F2O3S
Molecular Weight236.24 g/mol
Exact Mass236.03
IUPAC Name4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1COCC(F)F
InChIInChI=1S/C9H10F2O3S/c1-5-6(3-14-4-8(10)11)2-7(15-5)9(12)13/h2,8H,3-4H2,1H3,(H,12,13)
InChIKeyPTOPNJPXLKZPNE-UHFFFAOYSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-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 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid (CID 82005014) is 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1COCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid?
The InChIKey is PTOPNJPXLKZPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3S/c1-5-6(3-14-4-8(10)11)2-7(15-5)9(12)13/h2,8H,3-4H2,1H3,(H,12,13).
What are the key properties of 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid?
4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid has a molecular weight of 236.24 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 82005014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).