1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone

C10H11FO3S — CID 115604643

IUPAC1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone
SMILESCc1ccc(F)c(C(=O)CS(C)(=O)=O)c1
InChIInChI=1S/C10H11FO3S/c1-7-3-4-9(11)8(5-7)10(12)6-15(2,13)14/h3-5H,6H2,1-2H3
InChIKeyIJMMICGVIGVSED-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.36
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone

1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone (PubChem CID 115604643) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone
PubChem CID115604643
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone
SMILESCc1ccc(F)c(C(=O)CS(C)(=O)=O)c1
InChIInChI=1S/C10H11FO3S/c1-7-3-4-9(11)8(5-7)10(12)6-15(2,13)14/h3-5H,6H2,1-2H3
InChIKeyIJMMICGVIGVSED-UHFFFAOYSA-N
XLogP1.36
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 79731711
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
1-(2-fluoro-5-methylphenyl)decan-1-one
CID 114966456
1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone
CID 114974192
1-(2-fluoro-5-methylphenyl)-2-propoxyethanone
CID 62789426
ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 66070340
2-(2-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 62516230
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one
CID 116553012
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
CID 114970802
2-(4-bromophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanone
CID 66055276

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone (CID 115604643) is 1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone is Cc1ccc(F)c(C(=O)CS(C)(=O)=O)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone?
The InChIKey is IJMMICGVIGVSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-7-3-4-9(11)8(5-7)10(12)6-15(2,13)14/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone?
1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone has a molecular weight of 230.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-methylsulfonylethanone is sourced from PubChem (CID 115604643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).