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

C10H11F3INOS — CID 78948349

IUPAC5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C10H11F3INOS/c1-6(2)15(5-10(11,12)13)9(16)7-3-8(14)17-4-7/h3-4,6H,5H2,1-2H3
InChIKeyZZXMDDQWXZWNKO-UHFFFAOYSA-N
MW377.17 g/mol
LogP3.77
Rot. Bonds3

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

5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 78948349) has the molecular formula C10H11F3INOS and a molecular weight of 377.17 g/mol. Its IUPAC name is 5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID78948349
Molecular FormulaC10H11F3INOS
Molecular Weight377.17 g/mol
Exact Mass376.96
IUPAC Name5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C10H11F3INOS/c1-6(2)15(5-10(11,12)13)9(16)7-3-8(14)17-4-7/h3-4,6H,5H2,1-2H3
InChIKeyZZXMDDQWXZWNKO-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.17
LogP ≤ 53.77
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 5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 78948349) is 5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is ZZXMDDQWXZWNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3INOS/c1-6(2)15(5-10(11,12)13)9(16)7-3-8(14)17-4-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 377.17 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78948349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).