fluoromethylsulfonylbenzene

C7H7FO2S — CID 2759036

IUPACfluoromethylsulfonylbenzene
SMILESO=S(=O)(CF)c1ccccc1
InChIInChI=1S/C7H7FO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyDENHPZASLKBBHA-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.39
Rot. Bonds2

About fluoromethylsulfonylbenzene

fluoromethylsulfonylbenzene (PubChem CID 2759036) has the molecular formula C7H7FO2S and a molecular weight of 174.20 g/mol. Its IUPAC name is fluoromethylsulfonylbenzene.

Molecular Properties

Compound Namefluoromethylsulfonylbenzene
PubChem CID2759036
Molecular FormulaC7H7FO2S
Molecular Weight174.20 g/mol
Exact Mass174.02
IUPAC Namefluoromethylsulfonylbenzene
SMILESO=S(=O)(CF)c1ccccc1
InChIInChI=1S/C7H7FO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyDENHPZASLKBBHA-UHFFFAOYSA-N
XLogP1.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluoromethylsulfonylbenzene?
The IUPAC name of fluoromethylsulfonylbenzene (CID 2759036) is fluoromethylsulfonylbenzene.
What is the SMILES notation for fluoromethylsulfonylbenzene?
The canonical SMILES for fluoromethylsulfonylbenzene is O=S(=O)(CF)c1ccccc1.
What is the InChIKey of fluoromethylsulfonylbenzene?
The InChIKey is DENHPZASLKBBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of fluoromethylsulfonylbenzene?
fluoromethylsulfonylbenzene has a molecular weight of 174.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethylsulfonylbenzene is sourced from PubChem (CID 2759036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).