1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone

C16H11FO3S — CID 64637839

IUPAC1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccccc1F)c1coc2ccccc12
InChIInChI=1S/C16H11FO3S/c17-13-6-2-4-8-16(13)21(19)10-14(18)12-9-20-15-7-3-1-5-11(12)15/h1-9H,10H2
InChIKeySDGJGLKYZIQFTR-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.56
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone

1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone (PubChem CID 64637839) has the molecular formula C16H11FO3S and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone
PubChem CID64637839
Molecular FormulaC16H11FO3S
Molecular Weight302.33 g/mol
Exact Mass302.04
IUPAC Name1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccccc1F)c1coc2ccccc12
InChIInChI=1S/C16H11FO3S/c17-13-6-2-4-8-16(13)21(19)10-14(18)12-9-20-15-7-3-1-5-11(12)15/h1-9H,10H2
InChIKeySDGJGLKYZIQFTR-UHFFFAOYSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
CID 64636092
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
1-(1-benzofuran-3-yl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103039484
1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799431
1-(1-benzofuran-3-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 43802131
1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82718215
2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 64636678
1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483
1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795122
1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone
CID 104756239

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone (CID 64637839) is 1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone is O=C(CS(=O)c1ccccc1F)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone?
The InChIKey is SDGJGLKYZIQFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO3S/c17-13-6-2-4-8-16(13)21(19)10-14(18)12-9-20-15-7-3-1-5-11(12)15/h1-9H,10H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone?
1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone has a molecular weight of 302.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(2-fluorophenyl)sulfinylethanone is sourced from PubChem (CID 64637839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).