1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone

C15H12F2OS — CID 66070340

IUPAC1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
SMILESCc1ccc(F)c(C(=O)CSc2ccc(F)cc2)c1
InChIInChI=1S/C15H12F2OS/c1-10-2-7-14(17)13(8-10)15(18)9-19-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
InChIKeyZYVIYORIFFRXIA-UHFFFAOYSA-N
MW278.32 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone

1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone (PubChem CID 66070340) has the molecular formula C15H12F2OS and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
PubChem CID66070340
Molecular FormulaC15H12F2OS
Molecular Weight278.32 g/mol
Exact Mass278.06
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
SMILESCc1ccc(F)c(C(=O)CSc2ccc(F)cc2)c1
InChIInChI=1S/C15H12F2OS/c1-10-2-7-14(17)13(8-10)15(18)9-19-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
InChIKeyZYVIYORIFFRXIA-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

2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone
CID 66055276
1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 10802537
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 43411730
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43426355
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
1-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802208
1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone
CID 43220232
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 2672240
1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 115604643
2-(2,5-dimethylphenyl)sulfanyl-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 4223293
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone (CID 66070340) is 1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone is Cc1ccc(F)c(C(=O)CSc2ccc(F)cc2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone?
The InChIKey is ZYVIYORIFFRXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS/c1-10-2-7-14(17)13(8-10)15(18)9-19-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone?
1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)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-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 66070340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).