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

C9H9F3INOS — CID 78948396

IUPACN-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C9H9F3INOS/c1-2-14(5-9(10,11)12)8(15)6-3-7(13)16-4-6/h3-4H,2,5H2,1H3
InChIKeyLPHXJROKGLVEIM-UHFFFAOYSA-N
MW363.14 g/mol
LogP3.38
Rot. Bonds3

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

N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 78948396) has the molecular formula C9H9F3INOS and a molecular weight of 363.14 g/mol. Its IUPAC name is N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID78948396
Molecular FormulaC9H9F3INOS
Molecular Weight363.14 g/mol
Exact Mass362.94
IUPAC NameN-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C9H9F3INOS/c1-2-14(5-9(10,11)12)8(15)6-3-7(13)16-4-6/h3-4H,2,5H2,1H3
InChIKeyLPHXJROKGLVEIM-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 N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 78948396) is N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1csc(I)c1.
What is the InChIKey of N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is LPHXJROKGLVEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3INOS/c1-2-14(5-9(10,11)12)8(15)6-3-7(13)16-4-6/h3-4H,2,5H2,1H3.
What are the key properties of N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)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 N-ethyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78948396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).