propane-1,1-disulfonyl fluoride

C3H6F2O4S2 — CID 174719568

IUPACpropane-1,1-disulfonyl fluoride
SMILESCCC(S(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C3H6F2O4S2/c1-2-3(10(4,6)7)11(5,8)9/h3H,2H2,1H3
InChIKeyHFQILRBAASTAEB-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.32
Rot. Bonds3

About propane-1,1-disulfonyl fluoride

propane-1,1-disulfonyl fluoride (PubChem CID 174719568) has the molecular formula C3H6F2O4S2 and a molecular weight of 208.21 g/mol. Its IUPAC name is propane-1,1-disulfonyl fluoride.

Molecular Properties

Compound Namepropane-1,1-disulfonyl fluoride
PubChem CID174719568
Molecular FormulaC3H6F2O4S2
Molecular Weight208.21 g/mol
Exact Mass207.97
IUPAC Namepropane-1,1-disulfonyl fluoride
SMILESCCC(S(=O)(=O)F)S(=O)(=O)F
InChIInChI=1S/C3H6F2O4S2/c1-2-3(10(4,6)7)11(5,8)9/h3H,2H2,1H3
InChIKeyHFQILRBAASTAEB-UHFFFAOYSA-N
XLogP0.32
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propane-1,1-disulfonyl fluoride?
The IUPAC name of propane-1,1-disulfonyl fluoride (CID 174719568) is propane-1,1-disulfonyl fluoride.
What is the SMILES notation for propane-1,1-disulfonyl fluoride?
The canonical SMILES for propane-1,1-disulfonyl fluoride is CCC(S(=O)(=O)F)S(=O)(=O)F.
What is the InChIKey of propane-1,1-disulfonyl fluoride?
The InChIKey is HFQILRBAASTAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O4S2/c1-2-3(10(4,6)7)11(5,8)9/h3H,2H2,1H3.
What are the key properties of propane-1,1-disulfonyl fluoride?
propane-1,1-disulfonyl fluoride has a molecular weight of 208.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,1-disulfonyl fluoride is sourced from PubChem (CID 174719568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).