1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

C10H11Br2F2NO2S — CID 107481233

IUPAC1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2F2NO2S/c11-8-3-6(10(12)18-8)7(17)4-15(1-2-16)5-9(13)14/h3,9,16H,1-2,4-5H2
InChIKeyJVWZZJACTCMWEP-UHFFFAOYSA-N
MW407.07 g/mol
LogP3.02
Rot. Bonds7

About 1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (PubChem CID 107481233) has the molecular formula C10H11Br2F2NO2S and a molecular weight of 407.07 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
PubChem CID107481233
Molecular FormulaC10H11Br2F2NO2S
Molecular Weight407.07 g/mol
Exact Mass404.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2F2NO2S/c11-8-3-6(10(12)18-8)7(17)4-15(1-2-16)5-9(13)14/h3,9,16H,1-2,4-5H2
InChIKeyJVWZZJACTCMWEP-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.07
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (CID 107481233) is 1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is O=C(CN(CCO)CC(F)F)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The InChIKey is JVWZZJACTCMWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2F2NO2S/c11-8-3-6(10(12)18-8)7(17)4-15(1-2-16)5-9(13)14/h3,9,16H,1-2,4-5H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone has a molecular weight of 407.07 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 107481233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).