2-methylpropane-1,3-disulfonyl fluoride

C4H8F2O4S2 — CID 58122681

IUPAC2-methylpropane-1,3-disulfonyl fluoride
SMILESCC(CS(=O)(=O)F)CS(=O)(=O)F
InChIInChI=1S/C4H8F2O4S2/c1-4(2-11(5,7)8)3-12(6,9)10/h4H,2-3H2,1H3
InChIKeyPCDXXJAMTMTNQB-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.22
Rot. Bonds4

About 2-methylpropane-1,3-disulfonyl fluoride

2-methylpropane-1,3-disulfonyl fluoride (PubChem CID 58122681) has the molecular formula C4H8F2O4S2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 2-methylpropane-1,3-disulfonyl fluoride.

Molecular Properties

Compound Name2-methylpropane-1,3-disulfonyl fluoride
PubChem CID58122681
Molecular FormulaC4H8F2O4S2
Molecular Weight222.23 g/mol
Exact Mass221.98
IUPAC Name2-methylpropane-1,3-disulfonyl fluoride
SMILESCC(CS(=O)(=O)F)CS(=O)(=O)F
InChIInChI=1S/C4H8F2O4S2/c1-4(2-11(5,7)8)3-12(6,9)10/h4H,2-3H2,1H3
InChIKeyPCDXXJAMTMTNQB-UHFFFAOYSA-N
XLogP0.22
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1,3-disulfonyl fluoride?
The IUPAC name of 2-methylpropane-1,3-disulfonyl fluoride (CID 58122681) is 2-methylpropane-1,3-disulfonyl fluoride.
What is the SMILES notation for 2-methylpropane-1,3-disulfonyl fluoride?
The canonical SMILES for 2-methylpropane-1,3-disulfonyl fluoride is CC(CS(=O)(=O)F)CS(=O)(=O)F.
What is the InChIKey of 2-methylpropane-1,3-disulfonyl fluoride?
The InChIKey is PCDXXJAMTMTNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O4S2/c1-4(2-11(5,7)8)3-12(6,9)10/h4H,2-3H2,1H3.
What are the key properties of 2-methylpropane-1,3-disulfonyl fluoride?
2-methylpropane-1,3-disulfonyl fluoride has a molecular weight of 222.23 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,3-disulfonyl fluoride is sourced from PubChem (CID 58122681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).