1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone

C10H11BrF3NOS — CID 55010450

IUPAC1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCN(CC(=O)c1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C10H11BrF3NOS/c1-2-15(6-10(12,13)14)5-7(16)8-3-4-9(11)17-8/h3-4H,2,5-6H2,1H3
InChIKeyTZOOCEYUUBVQLX-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.58
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone

1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010450) has the molecular formula C10H11BrF3NOS and a molecular weight of 330.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010450
Molecular FormulaC10H11BrF3NOS
Molecular Weight330.17 g/mol
Exact Mass328.97
IUPAC Name1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCN(CC(=O)c1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C10H11BrF3NOS/c1-2-15(6-10(12,13)14)5-7(16)8-3-4-9(11)17-8/h3-4H,2,5-6H2,1H3
InChIKeyTZOOCEYUUBVQLX-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010450) is 1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone is CCN(CC(=O)c1ccc(Br)s1)CC(F)(F)F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is TZOOCEYUUBVQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NOS/c1-2-15(6-10(12,13)14)5-7(16)8-3-4-9(11)17-8/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 330.17 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).