1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone

C10H5BrF2OS — CID 171366176

IUPAC1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone
SMILESO=C(c1cc2cc(Br)ccc2s1)C(F)F
InChIInChI=1S/C10H5BrF2OS/c11-6-1-2-7-5(3-6)4-8(15-7)9(14)10(12)13/h1-4,10H
InChIKeyUIUDGMKWPNHNDB-UHFFFAOYSA-N
MW291.12 g/mol
LogP4.11
Rot. Bonds2

About 1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone

1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone (PubChem CID 171366176) has the molecular formula C10H5BrF2OS and a molecular weight of 291.12 g/mol. Its IUPAC name is 1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone
PubChem CID171366176
Molecular FormulaC10H5BrF2OS
Molecular Weight291.12 g/mol
Exact Mass289.92
IUPAC Name1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone
SMILESO=C(c1cc2cc(Br)ccc2s1)C(F)F
InChIInChI=1S/C10H5BrF2OS/c11-6-1-2-7-5(3-6)4-8(15-7)9(14)10(12)13/h1-4,10H
InChIKeyUIUDGMKWPNHNDB-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-benzothiophene-2-carboxamide
CID 119090366
1-(5-bromo-1-benzothiophen-2-yl)ethanone
CID 617837
1-(5-bromo-1-benzothiophen-2-yl)-2-chloro-2,2-difluoroethanone
CID 171366120
5-bromo-2-(difluoromethyl)-1-benzothiophene
CID 84710979
5-bromo-2-fluoro-1-benzothiophene
CID 70982915
2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid
CID 115072073
1-(1-benzothiophen-2-yl)-2-bromopropan-1-one
CID 142706834
1-(1-benzothiophen-2-yl)-2,2-dichloroethanone
CID 141104208
5-bromo-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1-benzothiophene-2-carboxamide
CID 177147167
1-(5-fluoro-1-benzothiophen-2-yl)-2-methylpentan-1-one
CID 107891211
butyl 4-(5-bromo-1-benzothiophen-2-yl)-4-oxobutanoate
CID 139559699
5-bromo-2-(4-nitrophenyl)-1-benzothiophene
CID 19261617

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone (CID 171366176) is 1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone is O=C(c1cc2cc(Br)ccc2s1)C(F)F.
What is the InChIKey of 1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone?
The InChIKey is UIUDGMKWPNHNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2OS/c11-6-1-2-7-5(3-6)4-8(15-7)9(14)10(12)13/h1-4,10H.
What are the key properties of 1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone?
1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone has a molecular weight of 291.12 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone is sourced from PubChem (CID 171366176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).