1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone

C16H10F2O2S — CID 114725527

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1cccc(F)c1)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H10F2O2S/c17-11-4-2-5-12(8-11)21-9-14(19)15-7-10-3-1-6-13(18)16(10)20-15/h1-8H,9H2
InChIKeyLOPKVBMDHKGBRC-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.69
Rot. Bonds4

About 1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone

1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone (PubChem CID 114725527) has the molecular formula C16H10F2O2S and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone
PubChem CID114725527
Molecular FormulaC16H10F2O2S
Molecular Weight304.32 g/mol
Exact Mass304.04
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1cccc(F)c1)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H10F2O2S/c17-11-4-2-5-12(8-11)21-9-14(19)15-7-10-3-1-6-13(18)16(10)20-15/h1-8H,9H2
InChIKeyLOPKVBMDHKGBRC-UHFFFAOYSA-N
XLogP4.69
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114725353
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
4-chloro-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114725511
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)sulfanylethanone
CID 62646826
1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone
CID 61243446
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
1-(7-fluoro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
CID 103458090
1-(7-fluoro-1-benzofuran-2-yl)-4-methoxybutan-1-one
CID 114725347
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
1-(4-fluoro-3-methylphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072671
1-(7-fluoro-1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736948
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone (CID 114725527) is 1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone is O=C(CSc1cccc(F)c1)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone?
The InChIKey is LOPKVBMDHKGBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2O2S/c17-11-4-2-5-12(8-11)21-9-14(19)15-7-10-3-1-6-13(18)16(10)20-15/h1-8H,9H2.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone?
1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone has a molecular weight of 304.32 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 114725527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).