1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone

C15H12F2OS — CID 43802208

IUPAC1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C15H12F2OS/c1-10-5-7-11(8-6-10)19-9-14(18)15-12(16)3-2-4-13(15)17/h2-8H,9H2,1H3
InChIKeyBQAKNJFGPRTSHF-UHFFFAOYSA-N
MW278.32 g/mol
LogP4.25
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone

1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 43802208) has the molecular formula C15H12F2OS and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID43802208
Molecular FormulaC15H12F2OS
Molecular Weight278.32 g/mol
Exact Mass278.06
IUPAC Name1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C15H12F2OS/c1-10-5-7-11(8-6-10)19-9-14(18)15-12(16)3-2-4-13(15)17/h2-8H,9H2,1H3
InChIKeyBQAKNJFGPRTSHF-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 116810019
1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 10802537
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 66070340
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
2-(4-ethylsulfanylphenyl)-6-fluorobenzoic acid
CID 53227315
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 104793475
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 106679998
2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone
CID 66055276
1-(3-fluoro-5-methylphenyl)-2-phenylsulfanylethanone
CID 79704304
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone
CID 134052350

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone (CID 43802208) is 1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone is Cc1ccc(SCC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is BQAKNJFGPRTSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS/c1-10-5-7-11(8-6-10)19-9-14(18)15-12(16)3-2-4-13(15)17/h2-8H,9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone?
1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 278.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 43802208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).