bis(fluoromethyl) methanedisulfonate

C3H6F2O6S2 — CID 129108409

IUPACbis(fluoromethyl) methanedisulfonate
SMILESO=S(=O)(CS(=O)(=O)OCF)OCF
InChIInChI=1S/C3H6F2O6S2/c4-1-10-12(6,7)3-13(8,9)11-2-5/h1-3H2
InChIKeyBHOQCIPRIJWHHJ-UHFFFAOYSA-N
MW240.20 g/mol
LogP-0.51
Rot. Bonds6

About bis(fluoromethyl) methanedisulfonate

bis(fluoromethyl) methanedisulfonate (PubChem CID 129108409) has the molecular formula C3H6F2O6S2 and a molecular weight of 240.20 g/mol. Its IUPAC name is bis(fluoromethyl) methanedisulfonate.

Molecular Properties

Compound Namebis(fluoromethyl) methanedisulfonate
PubChem CID129108409
Molecular FormulaC3H6F2O6S2
Molecular Weight240.20 g/mol
Exact Mass239.96
IUPAC Namebis(fluoromethyl) methanedisulfonate
SMILESO=S(=O)(CS(=O)(=O)OCF)OCF
InChIInChI=1S/C3H6F2O6S2/c4-1-10-12(6,7)3-13(8,9)11-2-5/h1-3H2
InChIKeyBHOQCIPRIJWHHJ-UHFFFAOYSA-N
XLogP-0.51
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
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 bis(fluoromethyl) methanedisulfonate?
The IUPAC name of bis(fluoromethyl) methanedisulfonate (CID 129108409) is bis(fluoromethyl) methanedisulfonate.
What is the SMILES notation for bis(fluoromethyl) methanedisulfonate?
The canonical SMILES for bis(fluoromethyl) methanedisulfonate is O=S(=O)(CS(=O)(=O)OCF)OCF.
What is the InChIKey of bis(fluoromethyl) methanedisulfonate?
The InChIKey is BHOQCIPRIJWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O6S2/c4-1-10-12(6,7)3-13(8,9)11-2-5/h1-3H2.
What are the key properties of bis(fluoromethyl) methanedisulfonate?
bis(fluoromethyl) methanedisulfonate has a molecular weight of 240.20 g/mol, XLogP of -0.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(fluoromethyl) methanedisulfonate is sourced from PubChem (CID 129108409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).