3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide

C7H5F3N2O2S — CID 2807695

IUPAC3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide
SMILESNC(=O)c1sccc1NC(=O)C(F)(F)F
InChIInChI=1S/C7H5F3N2O2S/c8-7(9,10)6(14)12-3-1-2-15-4(3)5(11)13/h1-2H,(H2,11,13)(H,12,14)
InChIKeyMJKPFVGRSJOARU-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.35
Rot. Bonds2

About 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide

3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide (PubChem CID 2807695) has the molecular formula C7H5F3N2O2S and a molecular weight of 238.19 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide
PubChem CID2807695
Molecular FormulaC7H5F3N2O2S
Molecular Weight238.19 g/mol
Exact Mass238.00
IUPAC Name3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide
SMILESNC(=O)c1sccc1NC(=O)C(F)(F)F
InChIInChI=1S/C7H5F3N2O2S/c8-7(9,10)6(14)12-3-1-2-15-4(3)5(11)13/h1-2H,(H2,11,13)(H,12,14)
InChIKeyMJKPFVGRSJOARU-UHFFFAOYSA-N
XLogP1.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide (CID 2807695) is 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide is NC(=O)c1sccc1NC(=O)C(F)(F)F.
What is the InChIKey of 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide?
The InChIKey is MJKPFVGRSJOARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2S/c8-7(9,10)6(14)12-3-1-2-15-4(3)5(11)13/h1-2H,(H2,11,13)(H,12,14).
What are the key properties of 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide?
3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide has a molecular weight of 238.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 2807695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).