3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid

C7H6F2O3S — CID 54593358

IUPAC3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid
SMILESCc1cc(OC(F)F)c(C(=O)O)s1
InChIInChI=1S/C7H6F2O3S/c1-3-2-4(12-7(8)9)5(13-3)6(10)11/h2,7H,1H3,(H,10,11)
InChIKeyWKQQJRYYMBSRSM-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.36
Rot. Bonds3

About 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid

3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid (PubChem CID 54593358) has the molecular formula C7H6F2O3S and a molecular weight of 208.18 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid
PubChem CID54593358
Molecular FormulaC7H6F2O3S
Molecular Weight208.18 g/mol
Exact Mass208.00
IUPAC Name3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid
SMILESCc1cc(OC(F)F)c(C(=O)O)s1
InChIInChI=1S/C7H6F2O3S/c1-3-2-4(12-7(8)9)5(13-3)6(10)11/h2,7H,1H3,(H,10,11)
InChIKeyWKQQJRYYMBSRSM-UHFFFAOYSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxythiophene-2-carboxylic acid
CID 1483475
3-Ethoxythiophene-2-carboxylic acid
CID 2777652
2,5-Dimethyl 3-hydroxythiophene-2,5-dicarboxylate
CID 305683
3-Hydroxy-thiophene-2-carboxylic acid methyl ester
CID 581127
3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid
CID 2759348
Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate
CID 2759855
Methyl 3-methoxythiophene-2-carboxylate
CID 701637
Methyl 3-hydroxy-5-methylthiophene-2-carboxylate
CID 587860
4-Methoxythiophene-2-carboxylic acid
CID 12646619
Methyl 3-methoxy-5-(trifluoromethyl)thiophene-2-carboxylate
CID 12090419
3-Methoxy-5-(trifluoromethyl)thiophene-2-carboxylic acid
CID 12090420
Diethyl 3-hydroxythiophene-2,5-dicarboxylate
CID 4961622

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid (CID 54593358) is 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid is Cc1cc(OC(F)F)c(C(=O)O)s1.
What is the InChIKey of 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid?
The InChIKey is WKQQJRYYMBSRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O3S/c1-3-2-4(12-7(8)9)5(13-3)6(10)11/h2,7H,1H3,(H,10,11).
What are the key properties of 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid?
3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid has a molecular weight of 208.18 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 54593358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).