2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone

C17H17FO2S — CID 64636487

IUPAC2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H17FO2S/c1-11-8-12(2)17(13(3)9-11)16(19)10-21(20)15-6-4-14(18)5-7-15/h4-9H,10H2,1-3H3
InChIKeySJZHJRFNZGZLME-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone

2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 64636487) has the molecular formula C17H17FO2S and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID64636487
Molecular FormulaC17H17FO2S
Molecular Weight304.39 g/mol
Exact Mass304.09
IUPAC Name2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H17FO2S/c1-11-8-12(2)17(13(3)9-11)16(19)10-21(20)15-6-4-14(18)5-7-15/h4-9H,10H2,1-3H3
InChIKeySJZHJRFNZGZLME-UHFFFAOYSA-N
XLogP3.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64636301
2-tert-butylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
CID 64639679
2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64658479
2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
CID 58259864
2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106679903
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
2-[(S)-(4-methylphenyl)sulfinyl]acetic acid
CID 54403067
1-(2,4,6-trimethylphenyl)but-3-yn-1-one
CID 114962026
2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
CID 78998480
N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 64715227

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone (CID 64636487) is 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CS(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is SJZHJRFNZGZLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2S/c1-11-8-12(2)17(13(3)9-11)16(19)10-21(20)15-6-4-14(18)5-7-15/h4-9H,10H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 64636487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).