5-(trifluoromethyl)furan-2-carboxamide

C6H4F3NO2 — CID 2729412

IUPAC5-(trifluoromethyl)furan-2-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H2,10,11)
InChIKeyJEBRGGLRJRFWDP-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.40
Rot. Bonds1

About 5-(trifluoromethyl)furan-2-carboxamide

5-(trifluoromethyl)furan-2-carboxamide (PubChem CID 2729412) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)furan-2-carboxamide
PubChem CID2729412
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name5-(trifluoromethyl)furan-2-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H2,10,11)
InChIKeyJEBRGGLRJRFWDP-UHFFFAOYSA-N
XLogP1.40
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)furan-2-carboxamide?
The IUPAC name of 5-(trifluoromethyl)furan-2-carboxamide (CID 2729412) is 5-(trifluoromethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)furan-2-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)furan-2-carboxamide is NC(=O)c1ccc(C(F)(F)F)o1.
What is the InChIKey of 5-(trifluoromethyl)furan-2-carboxamide?
The InChIKey is JEBRGGLRJRFWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H2,10,11).
What are the key properties of 5-(trifluoromethyl)furan-2-carboxamide?
5-(trifluoromethyl)furan-2-carboxamide has a molecular weight of 179.10 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)furan-2-carboxamide is sourced from PubChem (CID 2729412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).