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

C9H9F3INOS — CID 78948359

IUPAC5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C9H9F3INOS/c1-14(3-2-9(10,11)12)8(15)6-4-7(13)16-5-6/h4-5H,2-3H2,1H3
InChIKeyFZEJQXZHLOKNTO-UHFFFAOYSA-N
MW363.14 g/mol
LogP3.38
Rot. Bonds3

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

5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide (PubChem CID 78948359) has the molecular formula C9H9F3INOS and a molecular weight of 363.14 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
PubChem CID78948359
Molecular FormulaC9H9F3INOS
Molecular Weight363.14 g/mol
Exact Mass362.94
IUPAC Name5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C9H9F3INOS/c1-14(3-2-9(10,11)12)8(15)6-4-7(13)16-5-6/h4-5H,2-3H2,1H3
InChIKeyFZEJQXZHLOKNTO-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 53.38
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-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide (CID 78948359) is 5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide is CN(CCC(F)(F)F)C(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The InChIKey is FZEJQXZHLOKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3INOS/c1-14(3-2-9(10,11)12)8(15)6-4-7(13)16-5-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide has a molecular weight of 363.14 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide is sourced from PubChem (CID 78948359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).