5-(difluoromethyl)thiophene-2-carboxylic acid

C6H4F2O2S — CID 18938081

IUPAC5-(difluoromethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)F)s1
InChIInChI=1S/C6H4F2O2S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,5H,(H,9,10)
InChIKeyXITCEGGANINIMZ-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.38
Rot. Bonds2

About 5-(difluoromethyl)thiophene-2-carboxylic acid

5-(difluoromethyl)thiophene-2-carboxylic acid (PubChem CID 18938081) has the molecular formula C6H4F2O2S and a molecular weight of 178.16 g/mol. Its IUPAC name is 5-(difluoromethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)thiophene-2-carboxylic acid
PubChem CID18938081
Molecular FormulaC6H4F2O2S
Molecular Weight178.16 g/mol
Exact Mass177.99
IUPAC Name5-(difluoromethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)F)s1
InChIInChI=1S/C6H4F2O2S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,5H,(H,9,10)
InChIKeyXITCEGGANINIMZ-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)thiophene-2-carboxylic acid (CID 18938081) is 5-(difluoromethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)thiophene-2-carboxylic acid?
The InChIKey is XITCEGGANINIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O2S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,5H,(H,9,10).
What are the key properties of 5-(difluoromethyl)thiophene-2-carboxylic acid?
5-(difluoromethyl)thiophene-2-carboxylic acid has a molecular weight of 178.16 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 18938081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).