5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide

C8H7F3INOS — CID 79036453

IUPAC5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1csc(I)c1
InChIInChI=1S/C8H7F3INOS/c9-8(10,11)1-2-13-7(14)5-3-6(12)15-4-5/h3-4H,1-2H2,(H,13,14)
InChIKeyYAXHDFUCJXUNQQ-UHFFFAOYSA-N
MW349.12 g/mol
LogP3.03
Rot. Bonds3

About 5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide

5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide (PubChem CID 79036453) has the molecular formula C8H7F3INOS and a molecular weight of 349.12 g/mol. Its IUPAC name is 5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
PubChem CID79036453
Molecular FormulaC8H7F3INOS
Molecular Weight349.12 g/mol
Exact Mass348.92
IUPAC Name5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1csc(I)c1
InChIInChI=1S/C8H7F3INOS/c9-8(10,11)1-2-13-7(14)5-3-6(12)15-4-5/h3-4H,1-2H2,(H,13,14)
InChIKeyYAXHDFUCJXUNQQ-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
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-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide (CID 79036453) is 5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide is O=C(NCCC(F)(F)F)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The InChIKey is YAXHDFUCJXUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INOS/c9-8(10,11)1-2-13-7(14)5-3-6(12)15-4-5/h3-4H,1-2H2,(H,13,14).
What are the key properties of 5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide has a molecular weight of 349.12 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide is sourced from PubChem (CID 79036453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).