2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene

C11H15FO2S — CID 18337029

IUPAC2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene
SMILESCCCS(=O)(=O)Cc1cccc(C)c1F
InChIInChI=1S/C11H15FO2S/c1-3-7-15(13,14)8-10-6-4-5-9(2)11(10)12/h4-6H,3,7-8H2,1-2H3
InChIKeyFXVOEZIFJZAOHP-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.46
Rot. Bonds4

About 2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene

2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene (PubChem CID 18337029) has the molecular formula C11H15FO2S and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene
PubChem CID18337029
Molecular FormulaC11H15FO2S
Molecular Weight230.30 g/mol
Exact Mass230.08
IUPAC Name2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene
SMILESCCCS(=O)(=O)Cc1cccc(C)c1F
InChIInChI=1S/C11H15FO2S/c1-3-7-15(13,14)8-10-6-4-5-9(2)11(10)12/h4-6H,3,7-8H2,1-2H3
InChIKeyFXVOEZIFJZAOHP-UHFFFAOYSA-N
XLogP2.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-(propylsulfonylmethyl)benzene
CID 18337004
[2-fluoro-3-[(2-methylphenyl)methylsulfonylmethyl]phenyl]methanamine
CID 107120125
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
2,6-difluoro-3-(propylsulfonylmethyl)benzoyl chloride
CID 158138968
1-(chloromethyl)-3-methyl-2-(2-propylsulfonylethoxy)benzene
CID 106726612
2-methyl-4-[(2-methylphenyl)methylsulfonyl]butan-2-ol
CID 111799647
1,2-difluoro-3-(methylsulfonylmethyl)benzene
CID 2761430
4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-one
CID 114974623
3-bromo-2-(propylsulfonylmethyl)aniline
CID 43444822
1-chloro-3-(2-fluoro-3-methylphenyl)propan-2-one
CID 130881857
2-(2-methylsulfonylethylsulfonylmethyl)aniline
CID 63660631
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene?
The IUPAC name of 2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene (CID 18337029) is 2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene.
What is the SMILES notation for 2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene?
The canonical SMILES for 2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene is CCCS(=O)(=O)Cc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene?
The InChIKey is FXVOEZIFJZAOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2S/c1-3-7-15(13,14)8-10-6-4-5-9(2)11(10)12/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene?
2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene has a molecular weight of 230.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene is sourced from PubChem (CID 18337029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).