3-(difluoromethoxy)thiophene-2-carboxylic acid

C6H4F2O3S — CID 15376480

IUPAC3-(difluoromethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OC(F)F
InChIInChI=1S/C6H4F2O3S/c7-6(8)11-3-1-2-12-4(3)5(9)10/h1-2,6H,(H,9,10)
InChIKeyACQJRBMWSRPAPD-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.05
Rot. Bonds3

About 3-(difluoromethoxy)thiophene-2-carboxylic acid

3-(difluoromethoxy)thiophene-2-carboxylic acid (PubChem CID 15376480) has the molecular formula C6H4F2O3S and a molecular weight of 194.16 g/mol. Its IUPAC name is 3-(difluoromethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethoxy)thiophene-2-carboxylic acid
PubChem CID15376480
Molecular FormulaC6H4F2O3S
Molecular Weight194.16 g/mol
Exact Mass193.98
IUPAC Name3-(difluoromethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OC(F)F
InChIInChI=1S/C6H4F2O3S/c7-6(8)11-3-1-2-12-4(3)5(9)10/h1-2,6H,(H,9,10)
InChIKeyACQJRBMWSRPAPD-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 3-(difluoromethoxy)thiophene-2-carboxylic acid (CID 15376480) is 3-(difluoromethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethoxy)thiophene-2-carboxylic acid is O=C(O)c1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)thiophene-2-carboxylic acid?
The InChIKey is ACQJRBMWSRPAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O3S/c7-6(8)11-3-1-2-12-4(3)5(9)10/h1-2,6H,(H,9,10).
What are the key properties of 3-(difluoromethoxy)thiophene-2-carboxylic acid?
3-(difluoromethoxy)thiophene-2-carboxylic acid has a molecular weight of 194.16 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 15376480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).