benzene;sulfuryl difluoride

C6H6F2O2S — CID 18769602

IUPACbenzene;sulfuryl difluoride
SMILESO=S(=O)(F)F.c1ccccc1
InChIInChI=1S/C6H6.F2O2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;
InChIKeyIBKFINZPDOWMRT-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.86
Rot. Bonds

About benzene;sulfuryl difluoride

benzene;sulfuryl difluoride (PubChem CID 18769602) has the molecular formula C6H6F2O2S and a molecular weight of 180.18 g/mol. Its IUPAC name is benzene;sulfuryl difluoride.

Molecular Properties

Compound Namebenzene;sulfuryl difluoride
PubChem CID18769602
Molecular FormulaC6H6F2O2S
Molecular Weight180.18 g/mol
Exact Mass180.01
IUPAC Namebenzene;sulfuryl difluoride
SMILESO=S(=O)(F)F.c1ccccc1
InChIInChI=1S/C6H6.F2O2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;
InChIKeyIBKFINZPDOWMRT-UHFFFAOYSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzene;sulfuryl difluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;sulfuryl dichloride;sulfuryl difluoride
CID 23328833
hydrogen peroxide;sulfuryl difluoride
CID 175008946
benzene;tris(sulfurofluoridic acid)
CID 173082368
benzene;methanesulfonyl fluoride
CID 157433018
molecular hydrogen;sulfuryl difluoride
CID 175091653
benzoic acid;sulfuryl difluoride
CID 22153377
benzene-1,2-diamine;sulfuryl difluoride
CID 88604078
benzene;sulfuric acid
CID 160829970
benzene;sulfuric acid
CID 19962519
benzene;sulfamide
CID 22620346
benzene;trifluoromethanesulfonic acid
CID 87157881
benzene;ethane;methylsulfonylmethane
CID 91424980

Frequently Asked Questions

What is the IUPAC name of benzene;sulfuryl difluoride?
The IUPAC name of benzene;sulfuryl difluoride (CID 18769602) is benzene;sulfuryl difluoride.
What is the SMILES notation for benzene;sulfuryl difluoride?
The canonical SMILES for benzene;sulfuryl difluoride is O=S(=O)(F)F.c1ccccc1.
What is the InChIKey of benzene;sulfuryl difluoride?
The InChIKey is IBKFINZPDOWMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.F2O2S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;.
What are the key properties of benzene;sulfuryl difluoride?
benzene;sulfuryl difluoride has a molecular weight of 180.18 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;sulfuryl difluoride is sourced from PubChem (CID 18769602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).