5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C11H13BrF3NOS — CID 60778311

IUPAC5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H13BrF3NOS/c1-2-3-4-16(7-11(13,14)15)10(17)8-5-9(12)18-6-8/h5-6H,2-4,7H2,1H3
InChIKeyYJJQRZDSMFKPMM-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.32
Rot. Bonds5

About 5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 60778311) has the molecular formula C11H13BrF3NOS and a molecular weight of 344.20 g/mol. Its IUPAC name is 5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID60778311
Molecular FormulaC11H13BrF3NOS
Molecular Weight344.20 g/mol
Exact Mass342.99
IUPAC Name5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H13BrF3NOS/c1-2-3-4-16(7-11(13,14)15)10(17)8-5-9(12)18-6-8/h5-6H,2-4,7H2,1H3
InChIKeyYJJQRZDSMFKPMM-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 60778311) is 5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is YJJQRZDSMFKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NOS/c1-2-3-4-16(7-11(13,14)15)10(17)8-5-9(12)18-6-8/h5-6H,2-4,7H2,1H3.
What are the key properties of 5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 344.20 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 60778311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).