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

C11H11BrF3NOS — CID 55010894

IUPAC1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESO=C(CN(CC(F)(F)F)C1CC1)c1ccc(Br)s1
InChIInChI=1S/C11H11BrF3NOS/c12-10-4-3-9(18-10)8(17)5-16(7-1-2-7)6-11(13,14)15/h3-4,7H,1-2,5-6H2
InChIKeyXIKAFVLYYSSONS-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.72
Rot. Bonds5

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

1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010894) has the molecular formula C11H11BrF3NOS and a molecular weight of 342.18 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010894
Molecular FormulaC11H11BrF3NOS
Molecular Weight342.18 g/mol
Exact Mass340.97
IUPAC Name1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESO=C(CN(CC(F)(F)F)C1CC1)c1ccc(Br)s1
InChIInChI=1S/C11H11BrF3NOS/c12-10-4-3-9(18-10)8(17)5-16(7-1-2-7)6-11(13,14)15/h3-4,7H,1-2,5-6H2
InChIKeyXIKAFVLYYSSONS-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.72
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-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010894) is 1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone is O=C(CN(CC(F)(F)F)C1CC1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is XIKAFVLYYSSONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NOS/c12-10-4-3-9(18-10)8(17)5-16(7-1-2-7)6-11(13,14)15/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 342.18 g/mol, XLogP of 3.72, 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-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).