1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone

C8H7BrF2O2S — CID 82005457

IUPAC1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone
SMILESO=C(COCC(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H7BrF2O2S/c9-7-2-1-6(14-7)5(12)3-13-4-8(10)11/h1-2,8H,3-4H2
InChIKeyCIJXCYTZQTZBNE-UHFFFAOYSA-N
MW285.11 g/mol
LogP2.97
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone

1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone (PubChem CID 82005457) has the molecular formula C8H7BrF2O2S and a molecular weight of 285.11 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone
PubChem CID82005457
Molecular FormulaC8H7BrF2O2S
Molecular Weight285.11 g/mol
Exact Mass283.93
IUPAC Name1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone
SMILESO=C(COCC(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H7BrF2O2S/c9-7-2-1-6(14-7)5(12)3-13-4-8(10)11/h1-2,8H,3-4H2
InChIKeyCIJXCYTZQTZBNE-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 52.97
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-(2,2-difluoroethoxy)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone (CID 82005457) is 1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone is O=C(COCC(F)F)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone?
The InChIKey is CIJXCYTZQTZBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O2S/c9-7-2-1-6(14-7)5(12)3-13-4-8(10)11/h1-2,8H,3-4H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone?
1-(5-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone has a molecular weight of 285.11 g/mol, XLogP of 2.97, 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-(2,2-difluoroethoxy)ethanone is sourced from PubChem (CID 82005457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).