5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C7H4F3NO2S — CID 67315313

IUPAC5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C7H4F3NO2S/c8-7(9,10)5(12)3-1-2-4(14-3)6(11)13/h1-2H,(H2,11,13)
InChIKeyZELCAHZQAFVEPY-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.59
Rot. Bonds2

About 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67315313) has the molecular formula C7H4F3NO2S and a molecular weight of 223.17 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67315313
Molecular FormulaC7H4F3NO2S
Molecular Weight223.17 g/mol
Exact Mass222.99
IUPAC Name5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C7H4F3NO2S/c8-7(9,10)5(12)3-1-2-4(14-3)6(11)13/h1-2H,(H2,11,13)
InChIKeyZELCAHZQAFVEPY-UHFFFAOYSA-N
XLogP1.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiophenecarboxamide
CID 22063
N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023795
5-Acetylthiophene-2-carboxamide
CID 18938025
3-Oxo-3-thiophen-2-ylpropanamide
CID 11147963
2-Acetyl-5-(aminomethyl)thiophene
CID 20531515
5-(Bromoacetyl)thiophene-2-carboxamide
CID 20550935
Thiophene-2,5-carboxamide
CID 21316969
3-Fluorothiophene-2-carboxamide
CID 12836065
5-(Difluoromethyl)thiophene-2-carboxamide
CID 18938127
N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide
CID 18938145
N-[(5-acetylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 20449092
Thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 23509960

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67315313) is 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is NC(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is ZELCAHZQAFVEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2S/c8-7(9,10)5(12)3-1-2-4(14-3)6(11)13/h1-2H,(H2,11,13).
What are the key properties of 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 223.17 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67315313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).