dimethyl difluoromethanedisulfonate

C3H6F2O6S2 — CID 58773913

IUPACdimethyl difluoromethanedisulfonate
SMILESCOS(=O)(=O)C(F)(F)S(=O)(=O)OC
InChIInChI=1S/C3H6F2O6S2/c1-10-12(6,7)3(4,5)13(8,9)11-2/h1-2H3
InChIKeyNTMVMEHKPWGKKQ-UHFFFAOYSA-N
MW240.20 g/mol
LogP-0.51
Rot. Bonds4

About dimethyl difluoromethanedisulfonate

dimethyl difluoromethanedisulfonate (PubChem CID 58773913) has the molecular formula C3H6F2O6S2 and a molecular weight of 240.20 g/mol. Its IUPAC name is dimethyl difluoromethanedisulfonate.

Molecular Properties

Compound Namedimethyl difluoromethanedisulfonate
PubChem CID58773913
Molecular FormulaC3H6F2O6S2
Molecular Weight240.20 g/mol
Exact Mass239.96
IUPAC Namedimethyl difluoromethanedisulfonate
SMILESCOS(=O)(=O)C(F)(F)S(=O)(=O)OC
InChIInChI=1S/C3H6F2O6S2/c1-10-12(6,7)3(4,5)13(8,9)11-2/h1-2H3
InChIKeyNTMVMEHKPWGKKQ-UHFFFAOYSA-N
XLogP-0.51
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl difluoromethanedisulfonate?
The IUPAC name of dimethyl difluoromethanedisulfonate (CID 58773913) is dimethyl difluoromethanedisulfonate.
What is the SMILES notation for dimethyl difluoromethanedisulfonate?
The canonical SMILES for dimethyl difluoromethanedisulfonate is COS(=O)(=O)C(F)(F)S(=O)(=O)OC.
What is the InChIKey of dimethyl difluoromethanedisulfonate?
The InChIKey is NTMVMEHKPWGKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O6S2/c1-10-12(6,7)3(4,5)13(8,9)11-2/h1-2H3.
What are the key properties of dimethyl difluoromethanedisulfonate?
dimethyl difluoromethanedisulfonate has a molecular weight of 240.20 g/mol, XLogP of -0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl difluoromethanedisulfonate is sourced from PubChem (CID 58773913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).