5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide

C7H5F3N2O4S — CID 81340300

IUPAC5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C7H5F3N2O4S/c8-7(9,10)3-16-11-6(13)4-1-2-5(17-4)12(14)15/h1-2H,3H2,(H,11,13)
InChIKeyMZBXCXYEVCVLSB-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.88
Rot. Bonds4

About 5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide

5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (PubChem CID 81340300) has the molecular formula C7H5F3N2O4S and a molecular weight of 270.19 g/mol. Its IUPAC name is 5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
PubChem CID81340300
Molecular FormulaC7H5F3N2O4S
Molecular Weight270.19 g/mol
Exact Mass269.99
IUPAC Name5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C7H5F3N2O4S/c8-7(9,10)3-16-11-6(13)4-1-2-5(17-4)12(14)15/h1-2H,3H2,(H,11,13)
InChIKeyMZBXCXYEVCVLSB-UHFFFAOYSA-N
XLogP1.88
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (CID 81340300) is 5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is O=C(NOCC(F)(F)F)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The InChIKey is MZBXCXYEVCVLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O4S/c8-7(9,10)3-16-11-6(13)4-1-2-5(17-4)12(14)15/h1-2H,3H2,(H,11,13).
What are the key properties of 5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide has a molecular weight of 270.19 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 81340300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).