thiophene-3-carboxamide;2,2,2-trifluoroacetic acid

C7H6F3NO3S — CID 118270512

IUPACthiophene-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ccsc1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H5NOS.C2HF3O2/c6-5(7)4-1-2-8-3-4;3-2(4,5)1(6)7/h1-3H,(H2,6,7);(H,6,7)
InChIKeyQGQJILUQHSLULW-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.48
Rot. Bonds1

About thiophene-3-carboxamide;2,2,2-trifluoroacetic acid

thiophene-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118270512) has the molecular formula C7H6F3NO3S and a molecular weight of 241.19 g/mol. Its IUPAC name is thiophene-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namethiophene-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118270512
Molecular FormulaC7H6F3NO3S
Molecular Weight241.19 g/mol
Exact Mass241.00
IUPAC Namethiophene-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ccsc1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H5NOS.C2HF3O2/c6-5(7)4-1-2-8-3-4;3-2(4,5)1(6)7/h1-3H,(H2,6,7);(H,6,7)
InChIKeyQGQJILUQHSLULW-UHFFFAOYSA-N
XLogP1.48
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
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phenol;tris(2,2,2-trifluoroacetic acid)
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Frequently Asked Questions

What is the IUPAC name of thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of thiophene-3-carboxamide;2,2,2-trifluoroacetic acid (CID 118270512) is thiophene-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for thiophene-3-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1ccsc1.O=C(O)C(F)(F)F.
What is the InChIKey of thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QGQJILUQHSLULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS.C2HF3O2/c6-5(7)4-1-2-8-3-4;3-2(4,5)1(6)7/h1-3H,(H2,6,7);(H,6,7).
What are the key properties of thiophene-3-carboxamide;2,2,2-trifluoroacetic acid?
thiophene-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 241.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118270512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).