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

C9H9BrF3NOS — CID 55028526

IUPAC5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1csc(Br)c1
InChIInChI=1S/C9H9BrF3NOS/c1-2-14(5-9(11,12)13)8(15)6-3-7(10)16-4-6/h3-4H,2,5H2,1H3
InChIKeyFONMJIDOWHXHSC-UHFFFAOYSA-N
MW316.14 g/mol
LogP3.54
Rot. Bonds3

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

5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 55028526) has the molecular formula C9H9BrF3NOS and a molecular weight of 316.14 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID55028526
Molecular FormulaC9H9BrF3NOS
Molecular Weight316.14 g/mol
Exact Mass314.95
IUPAC Name5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1csc(Br)c1
InChIInChI=1S/C9H9BrF3NOS/c1-2-14(5-9(11,12)13)8(15)6-3-7(10)16-4-6/h3-4H,2,5H2,1H3
InChIKeyFONMJIDOWHXHSC-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 55028526) is 5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is FONMJIDOWHXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NOS/c1-2-14(5-9(11,12)13)8(15)6-3-7(10)16-4-6/h3-4H,2,5H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 316.14 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 55028526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).