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

C7H5F3N2O3S — CID 7535364

IUPAC5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C7H5F3N2O3S/c8-7(9,10)3-11-6(13)4-1-2-5(16-4)12(14)15/h1-2H,3H2,(H,11,13)
InChIKeyPXDUMYJJONUCEX-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.95
Rot. Bonds3

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

5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 7535364) has the molecular formula C7H5F3N2O3S and a molecular weight of 254.19 g/mol. Its IUPAC name is 5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID7535364
Molecular FormulaC7H5F3N2O3S
Molecular Weight254.19 g/mol
Exact Mass254.00
IUPAC Name5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C7H5F3N2O3S/c8-7(9,10)3-11-6(13)4-1-2-5(16-4)12(14)15/h1-2H,3H2,(H,11,13)
InChIKeyPXDUMYJJONUCEX-UHFFFAOYSA-N
XLogP1.95
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 7535364) is 5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(NCC(F)(F)F)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is PXDUMYJJONUCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3S/c8-7(9,10)3-11-6(13)4-1-2-5(16-4)12(14)15/h1-2H,3H2,(H,11,13).
What are the key properties of 5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 254.19 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 7535364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).