1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C8H5Br2F3O2S — CID 43799476

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C8H5Br2F3O2S/c9-6-1-4(7(10)16-6)5(14)2-15-3-8(11,12)13/h1H,2-3H2
InChIKeyTZQVJKOPXGRBRF-UHFFFAOYSA-N
MW382.00 g/mol
LogP4.03
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799476) has the molecular formula C8H5Br2F3O2S and a molecular weight of 382.00 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799476
Molecular FormulaC8H5Br2F3O2S
Molecular Weight382.00 g/mol
Exact Mass379.83
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C8H5Br2F3O2S/c9-6-1-4(7(10)16-6)5(14)2-15-3-8(11,12)13/h1H,2-3H2
InChIKeyTZQVJKOPXGRBRF-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.00
LogP ≤ 54.03
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-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799476) is 1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is TZQVJKOPXGRBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F3O2S/c9-6-1-4(7(10)16-6)5(14)2-15-3-8(11,12)13/h1H,2-3H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 382.00 g/mol, XLogP of 4.03, 4 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-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).