5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C7H4ClF3N2O3S — CID 112527699

IUPAC5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C7H4ClF3N2O3S/c8-5-3(13(15)16)1-4(17-5)6(14)12-2-7(9,10)11/h1H,2H2,(H,12,14)
InChIKeyKUCPXKZOGVPTDB-UHFFFAOYSA-N
MW288.63 g/mol
LogP2.60
Rot. Bonds3

About 5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 112527699) has the molecular formula C7H4ClF3N2O3S and a molecular weight of 288.63 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID112527699
Molecular FormulaC7H4ClF3N2O3S
Molecular Weight288.63 g/mol
Exact Mass287.96
IUPAC Name5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C7H4ClF3N2O3S/c8-5-3(13(15)16)1-4(17-5)6(14)12-2-7(9,10)11/h1H,2H2,(H,12,14)
InChIKeyKUCPXKZOGVPTDB-UHFFFAOYSA-N
XLogP2.60
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.63
LogP ≤ 52.60
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'}

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Related Compounds

5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-nitrothiophene-2-carboxamide
CID 84575934
4-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 18105512
5-chloro-4-nitro-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 112530264
N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119628583
5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476546
5-chloro-4-nitro-N-pyrimidin-5-ylthiophene-2-carboxamide
CID 112524129
5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide
CID 84575839
5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide
CID 84576319
4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103577982
5-chloro-N-(2,4-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476480
5-chloro-N-(3-chlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476388
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-4-nitrothiophene-2-carboxamide
CID 112529619

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 112527699) is 5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(NCC(F)(F)F)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is KUCPXKZOGVPTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O3S/c8-5-3(13(15)16)1-4(17-5)6(14)12-2-7(9,10)11/h1H,2H2,(H,12,14).
What are the key properties of 5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 288.63 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 112527699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).