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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Related Compounds

CID 49716986
CID 49716986
CID 72118345
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CID 12926531
CID 12926531
CID 13305450
CID 13305450
CID 23273494
CID 23273494
CID 71805938
CID 71805938
CID 11389776
CID 11389776
CID 12161492
CID 12161492
CID 45863283
CID 45863283
CID 49716976
CID 49716976
CID 49716985
CID 49716985
CID 53524301
CID 53524301

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).