N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C11H13F3INOS — CID 78948459

IUPACN-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C11H13F3INOS/c1-2-3-4-16(7-11(12,13)14)10(17)8-5-9(15)18-6-8/h5-6H,2-4,7H2,1H3
InChIKeyKBJWIOPYSXQPKZ-UHFFFAOYSA-N
MW391.20 g/mol
LogP4.16
Rot. Bonds5

About N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 78948459) has the molecular formula C11H13F3INOS and a molecular weight of 391.20 g/mol. Its IUPAC name is N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID78948459
Molecular FormulaC11H13F3INOS
Molecular Weight391.20 g/mol
Exact Mass390.97
IUPAC NameN-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C11H13F3INOS/c1-2-3-4-16(7-11(12,13)14)10(17)8-5-9(15)18-6-8/h5-6H,2-4,7H2,1H3
InChIKeyKBJWIOPYSXQPKZ-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 78948459) is N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1csc(I)c1.
What is the InChIKey of N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is KBJWIOPYSXQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3INOS/c1-2-3-4-16(7-11(12,13)14)10(17)8-5-9(15)18-6-8/h5-6H,2-4,7H2,1H3.
What are the key properties of N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 391.20 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78948459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).