difluoromethylsulfonylbenzene

C7H6F2O2S — CID 11816356

IUPACdifluoromethylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)F
InChIInChI=1S/C7H6F2O2S/c8-7(9)12(10,11)6-4-2-1-3-5-6/h1-5,7H
InChIKeyLRHDNAVPELLXDL-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.68
Rot. Bonds2

About difluoromethylsulfonylbenzene

difluoromethylsulfonylbenzene (PubChem CID 11816356) has the molecular formula C7H6F2O2S and a molecular weight of 192.19 g/mol. Its IUPAC name is difluoromethylsulfonylbenzene.

Molecular Properties

Compound Namedifluoromethylsulfonylbenzene
PubChem CID11816356
Molecular FormulaC7H6F2O2S
Molecular Weight192.19 g/mol
Exact Mass192.01
IUPAC Namedifluoromethylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)F
InChIInChI=1S/C7H6F2O2S/c8-7(9)12(10,11)6-4-2-1-3-5-6/h1-5,7H
InChIKeyLRHDNAVPELLXDL-UHFFFAOYSA-N
XLogP1.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of difluoromethylsulfonylbenzene?
The IUPAC name of difluoromethylsulfonylbenzene (CID 11816356) is difluoromethylsulfonylbenzene.
What is the SMILES notation for difluoromethylsulfonylbenzene?
The canonical SMILES for difluoromethylsulfonylbenzene is O=S(=O)(c1ccccc1)C(F)F.
What is the InChIKey of difluoromethylsulfonylbenzene?
The InChIKey is LRHDNAVPELLXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O2S/c8-7(9)12(10,11)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of difluoromethylsulfonylbenzene?
difluoromethylsulfonylbenzene has a molecular weight of 192.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylsulfonylbenzene is sourced from PubChem (CID 11816356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).