5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide

C7H5BrF3NO2S — CID 81343684

IUPAC5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1csc(Br)c1
InChIInChI=1S/C7H5BrF3NO2S/c8-5-1-4(2-15-5)6(13)12-14-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeySLDFNFRYSUGNLV-UHFFFAOYSA-N
MW304.09 g/mol
LogP2.73
Rot. Bonds3

About 5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide

5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide (PubChem CID 81343684) has the molecular formula C7H5BrF3NO2S and a molecular weight of 304.09 g/mol. Its IUPAC name is 5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
PubChem CID81343684
Molecular FormulaC7H5BrF3NO2S
Molecular Weight304.09 g/mol
Exact Mass302.92
IUPAC Name5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1csc(Br)c1
InChIInChI=1S/C7H5BrF3NO2S/c8-5-1-4(2-15-5)6(13)12-14-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeySLDFNFRYSUGNLV-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 52.73
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 5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide (CID 81343684) is 5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide is O=C(NOCC(F)(F)F)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide?
The InChIKey is SLDFNFRYSUGNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2S/c8-5-1-4(2-15-5)6(13)12-14-3-7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of 5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide?
5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide has a molecular weight of 304.09 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide is sourced from PubChem (CID 81343684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).