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

C10H11BrF3NOS — CID 60955596

IUPAC5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1csc(Br)c1
InChIInChI=1S/C10H11BrF3NOS/c1-6(2)15(5-10(12,13)14)9(16)7-3-8(11)17-4-7/h3-4,6H,5H2,1-2H3
InChIKeyOBTUYQOWRYTAAZ-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.92
Rot. Bonds3

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

5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 60955596) has the molecular formula C10H11BrF3NOS and a molecular weight of 330.17 g/mol. Its IUPAC name is 5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID60955596
Molecular FormulaC10H11BrF3NOS
Molecular Weight330.17 g/mol
Exact Mass328.97
IUPAC Name5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1csc(Br)c1
InChIInChI=1S/C10H11BrF3NOS/c1-6(2)15(5-10(12,13)14)9(16)7-3-8(11)17-4-7/h3-4,6H,5H2,1-2H3
InChIKeyOBTUYQOWRYTAAZ-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 60955596) is 5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is OBTUYQOWRYTAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NOS/c1-6(2)15(5-10(12,13)14)9(16)7-3-8(11)17-4-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 330.17 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 60955596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).