1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone

C15H8F2OS — CID 81153363

IUPAC1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)c1cccc2ccsc12
InChIInChI=1S/C15H8F2OS/c16-10-4-5-13(17)12(8-10)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8H
InChIKeySHIFFUFDQZHTCJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP4.41
Rot. Bonds2

About 1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone

1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone (PubChem CID 81153363) has the molecular formula C15H8F2OS and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone
PubChem CID81153363
Molecular FormulaC15H8F2OS
Molecular Weight274.29 g/mol
Exact Mass274.03
IUPAC Name1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)c1cccc2ccsc12
InChIInChI=1S/C15H8F2OS/c16-10-4-5-13(17)12(8-10)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8H
InChIKeySHIFFUFDQZHTCJ-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-7-yl-(2-fluorophenyl)methanone
CID 81152936
1-benzothiophen-7-yl-(3,4-difluorophenyl)methanone
CID 81154298
1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone
CID 81153538
1-benzothiophen-7-yl-(5-chloro-2-methoxyphenyl)methanone
CID 115791072
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
CID 115791052
1-benzothiophen-7-yl-(4-bromophenyl)methanone
CID 81153042
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
(2-bromophenyl)-(2,5-difluorophenyl)methanone
CID 43159861
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanol
CID 81142378
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
1-benzothiophen-7-yl(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 105122147
1-benzothiophen-7-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105122061

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone (CID 81153363) is 1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone is O=C(c1cc(F)ccc1F)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone?
The InChIKey is SHIFFUFDQZHTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2OS/c16-10-4-5-13(17)12(8-10)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8H.
What are the key properties of 1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone?
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone has a molecular weight of 274.29 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 81153363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).