1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone

C11H12Br2F3NOS — CID 55010656

IUPAC1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC(C)N(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F
InChIInChI=1S/C11H12Br2F3NOS/c1-6(2)17(5-11(14,15)16)4-8(18)7-3-9(12)19-10(7)13/h3,6H,4-5H2,1-2H3
InChIKeyGWHCXYJTQWPJOH-UHFFFAOYSA-N
MW423.09 g/mol
LogP4.73
Rot. Bonds5

About 1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone

1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010656) has the molecular formula C11H12Br2F3NOS and a molecular weight of 423.09 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010656
Molecular FormulaC11H12Br2F3NOS
Molecular Weight423.09 g/mol
Exact Mass420.90
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC(C)N(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F
InChIInChI=1S/C11H12Br2F3NOS/c1-6(2)17(5-11(14,15)16)4-8(18)7-3-9(12)19-10(7)13/h3,6H,4-5H2,1-2H3
InChIKeyGWHCXYJTQWPJOH-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.09
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010656) is 1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone is CC(C)N(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is GWHCXYJTQWPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2F3NOS/c1-6(2)17(5-11(14,15)16)4-8(18)7-3-9(12)19-10(7)13/h3,6H,4-5H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 423.09 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).