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

C9H10F3NO2S — CID 81343333

IUPAC3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-2-6-3-4-16-7(6)8(14)13-15-5-9(10,11)12/h3-4H,2,5H2,1H3,(H,13,14)
InChIKeySGWRFFCCKYAYEO-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.53
Rot. Bonds4

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

3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (PubChem CID 81343333) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
PubChem CID81343333
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c1-2-6-3-4-16-7(6)8(14)13-15-5-9(10,11)12/h3-4H,2,5H2,1H3,(H,13,14)
InChIKeySGWRFFCCKYAYEO-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.53
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-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (CID 81343333) is 3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is CCc1ccsc1C(=O)NOCC(F)(F)F.
What is the InChIKey of 3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The InChIKey is SGWRFFCCKYAYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-2-6-3-4-16-7(6)8(14)13-15-5-9(10,11)12/h3-4H,2,5H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide has a molecular weight of 253.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 81343333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).