3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide

C8H8F3NO2S — CID 81343591

IUPAC3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c1-5-2-3-15-6(5)7(13)12-14-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,13)
InChIKeyWZYWLHKTYSXEID-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.28
Rot. Bonds3

About 3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide

3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (PubChem CID 81343591) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
PubChem CID81343591
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c1-5-2-3-15-6(5)7(13)12-14-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,13)
InChIKeyWZYWLHKTYSXEID-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (CID 81343591) is 3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is Cc1ccsc1C(=O)NOCC(F)(F)F.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The InChIKey is WZYWLHKTYSXEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-5-2-3-15-6(5)7(13)12-14-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide has a molecular weight of 239.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 81343591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).