5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide

C8H7F3INO2S — CID 103726423

IUPAC5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1csc(I)c1
InChIInChI=1S/C8H7F3INO2S/c9-8(10,11)5(14)2-13-7(15)4-1-6(12)16-3-4/h1,3,5,14H,2H2,(H,13,15)
InChIKeyCFEMZVSQPPMKFT-UHFFFAOYSA-N
MW365.11 g/mol
LogP2.01
Rot. Bonds3

About 5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide

5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 103726423) has the molecular formula C8H7F3INO2S and a molecular weight of 365.11 g/mol. Its IUPAC name is 5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
PubChem CID103726423
Molecular FormulaC8H7F3INO2S
Molecular Weight365.11 g/mol
Exact Mass364.92
IUPAC Name5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1csc(I)c1
InChIInChI=1S/C8H7F3INO2S/c9-8(10,11)5(14)2-13-7(15)4-1-6(12)16-3-4/h1,3,5,14H,2H2,(H,13,15)
InChIKeyCFEMZVSQPPMKFT-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide (CID 103726423) is 5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide is O=C(NCC(O)C(F)(F)F)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is CFEMZVSQPPMKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO2S/c9-8(10,11)5(14)2-13-7(15)4-1-6(12)16-3-4/h1,3,5,14H,2H2,(H,13,15).
What are the key properties of 5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide?
5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 365.11 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 103726423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).