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

C9H9BrF3NO2S — CID 54877997

IUPAC5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1csc(Br)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H9BrF3NO2S/c10-7-3-6(4-17-7)8(16)14(1-2-15)5-9(11,12)13/h3-4,15H,1-2,5H2
InChIKeyHQWLPSOBITULOV-UHFFFAOYSA-N
MW332.14 g/mol
LogP2.51
Rot. Bonds4

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

5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 54877997) has the molecular formula C9H9BrF3NO2S and a molecular weight of 332.14 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID54877997
Molecular FormulaC9H9BrF3NO2S
Molecular Weight332.14 g/mol
Exact Mass330.95
IUPAC Name5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1csc(Br)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H9BrF3NO2S/c10-7-3-6(4-17-7)8(16)14(1-2-15)5-9(11,12)13/h3-4,15H,1-2,5H2
InChIKeyHQWLPSOBITULOV-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Bromothiophene-3-carbonyl)morpholine
CID 40012384
5-bromo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 43424514
5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 54878193
5-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 54942221
5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 54983606
5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 55028526
(5-Bromothiophen-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60735303
(5-Bromothiophen-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60735736
5-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-carboxamide
CID 60735738
5-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 60778311
5-bromo-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 60779464
5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 60779659

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 54877997) is 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is O=C(c1csc(Br)c1)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is HQWLPSOBITULOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2S/c10-7-3-6(4-17-7)8(16)14(1-2-15)5-9(11,12)13/h3-4,15H,1-2,5H2.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 332.14 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 54877997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).