[fluoromethylsulfonyl(methylsulfonyl)methyl]benzene

C9H11FO4S2 — CID 59584229

IUPAC[fluoromethylsulfonyl(methylsulfonyl)methyl]benzene
SMILESCS(=O)(=O)C(c1ccccc1)S(=O)(=O)CF
InChIInChI=1S/C9H11FO4S2/c1-15(11,12)9(16(13,14)7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyIDHYZJVBKJQPCM-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.07
Rot. Bonds4

About [fluoromethylsulfonyl(methylsulfonyl)methyl]benzene

[fluoromethylsulfonyl(methylsulfonyl)methyl]benzene (PubChem CID 59584229) has the molecular formula C9H11FO4S2 and a molecular weight of 266.31 g/mol. Its IUPAC name is [fluoromethylsulfonyl(methylsulfonyl)methyl]benzene.

Molecular Properties

Compound Name[fluoromethylsulfonyl(methylsulfonyl)methyl]benzene
PubChem CID59584229
Molecular FormulaC9H11FO4S2
Molecular Weight266.31 g/mol
Exact Mass266.01
IUPAC Name[fluoromethylsulfonyl(methylsulfonyl)methyl]benzene
SMILESCS(=O)(=O)C(c1ccccc1)S(=O)(=O)CF
InChIInChI=1S/C9H11FO4S2/c1-15(11,12)9(16(13,14)7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyIDHYZJVBKJQPCM-UHFFFAOYSA-N
XLogP1.07
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [fluoromethylsulfonyl(methylsulfonyl)methyl]benzene?
The IUPAC name of [fluoromethylsulfonyl(methylsulfonyl)methyl]benzene (CID 59584229) is [fluoromethylsulfonyl(methylsulfonyl)methyl]benzene.
What is the SMILES notation for [fluoromethylsulfonyl(methylsulfonyl)methyl]benzene?
The canonical SMILES for [fluoromethylsulfonyl(methylsulfonyl)methyl]benzene is CS(=O)(=O)C(c1ccccc1)S(=O)(=O)CF.
What is the InChIKey of [fluoromethylsulfonyl(methylsulfonyl)methyl]benzene?
The InChIKey is IDHYZJVBKJQPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO4S2/c1-15(11,12)9(16(13,14)7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of [fluoromethylsulfonyl(methylsulfonyl)methyl]benzene?
[fluoromethylsulfonyl(methylsulfonyl)methyl]benzene has a molecular weight of 266.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoromethylsulfonyl(methylsulfonyl)methyl]benzene is sourced from PubChem (CID 59584229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).