ethane-1,1-disulfonyl fluoride

C2H4F2O4S2 — CID 15579786

IUPACethane-1,1-disulfonyl fluoride
SMILESCC(S(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C2H4F2O4S2/c1-2(9(3,5)6)10(4,7)8/h2H,1H3
InChIKeyZJWOXOMENWNSGT-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.07
Rot. Bonds2

About ethane-1,1-disulfonyl fluoride

ethane-1,1-disulfonyl fluoride (PubChem CID 15579786) has the molecular formula C2H4F2O4S2 and a molecular weight of 194.18 g/mol. Its IUPAC name is ethane-1,1-disulfonyl fluoride.

Molecular Properties

Compound Nameethane-1,1-disulfonyl fluoride
PubChem CID15579786
Molecular FormulaC2H4F2O4S2
Molecular Weight194.18 g/mol
Exact Mass193.95
IUPAC Nameethane-1,1-disulfonyl fluoride
SMILESCC(S(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C2H4F2O4S2/c1-2(9(3,5)6)10(4,7)8/h2H,1H3
InChIKeyZJWOXOMENWNSGT-UHFFFAOYSA-N
XLogP-0.07
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane-1,1-disulfonyl fluoride?
The IUPAC name of ethane-1,1-disulfonyl fluoride (CID 15579786) is ethane-1,1-disulfonyl fluoride.
What is the SMILES notation for ethane-1,1-disulfonyl fluoride?
The canonical SMILES for ethane-1,1-disulfonyl fluoride is CC(S(=O)(=O)F)S(=O)(=O)F.
What is the InChIKey of ethane-1,1-disulfonyl fluoride?
The InChIKey is ZJWOXOMENWNSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2O4S2/c1-2(9(3,5)6)10(4,7)8/h2H,1H3.
What are the key properties of ethane-1,1-disulfonyl fluoride?
ethane-1,1-disulfonyl fluoride has a molecular weight of 194.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1-disulfonyl fluoride is sourced from PubChem (CID 15579786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).