5-(difluoromethyl)thiophene-3-carboxamide

C6H5F2NOS — CID 18938084

IUPAC5-(difluoromethyl)thiophene-3-carboxamide
SMILESNC(=O)c1csc(C(F)F)c1
InChIInChI=1S/C6H5F2NOS/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2,5H,(H2,9,10)
InChIKeyXRBJOCFVXYHGDV-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.78
Rot. Bonds2

About 5-(difluoromethyl)thiophene-3-carboxamide

5-(difluoromethyl)thiophene-3-carboxamide (PubChem CID 18938084) has the molecular formula C6H5F2NOS and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-(difluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)thiophene-3-carboxamide
PubChem CID18938084
Molecular FormulaC6H5F2NOS
Molecular Weight177.18 g/mol
Exact Mass177.01
IUPAC Name5-(difluoromethyl)thiophene-3-carboxamide
SMILESNC(=O)c1csc(C(F)F)c1
InChIInChI=1S/C6H5F2NOS/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2,5H,(H2,9,10)
InChIKeyXRBJOCFVXYHGDV-UHFFFAOYSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)thiophene-3-carboxamide (CID 18938084) is 5-(difluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)thiophene-3-carboxamide is NC(=O)c1csc(C(F)F)c1.
What is the InChIKey of 5-(difluoromethyl)thiophene-3-carboxamide?
The InChIKey is XRBJOCFVXYHGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NOS/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2,5H,(H2,9,10).
What are the key properties of 5-(difluoromethyl)thiophene-3-carboxamide?
5-(difluoromethyl)thiophene-3-carboxamide has a molecular weight of 177.18 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 18938084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).