5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide

C10H11BrF3NO2S — CID 86930583

IUPAC5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)c1csc(Br)c1
InChIInChI=1S/C10H11BrF3NO2S/c11-8-4-7(5-18-8)9(16)15-2-1-3-17-6-10(12,13)14/h4-5H,1-3,6H2,(H,15,16)
InChIKeyKBQGAWRMIDNLGV-UHFFFAOYSA-N
MW346.17 g/mol
LogP3.21
Rot. Bonds6

About 5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide

5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide (PubChem CID 86930583) has the molecular formula C10H11BrF3NO2S and a molecular weight of 346.17 g/mol. Its IUPAC name is 5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide
PubChem CID86930583
Molecular FormulaC10H11BrF3NO2S
Molecular Weight346.17 g/mol
Exact Mass344.96
IUPAC Name5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)c1csc(Br)c1
InChIInChI=1S/C10H11BrF3NO2S/c11-8-4-7(5-18-8)9(16)15-2-1-3-17-6-10(12,13)14/h4-5H,1-3,6H2,(H,15,16)
InChIKeyKBQGAWRMIDNLGV-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide (CID 86930583) is 5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide is O=C(NCCCOCC(F)(F)F)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide?
The InChIKey is KBQGAWRMIDNLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2S/c11-8-4-7(5-18-8)9(16)15-2-1-3-17-6-10(12,13)14/h4-5H,1-3,6H2,(H,15,16).
What are the key properties of 5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide?
5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide has a molecular weight of 346.17 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 86930583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).