dimethyl fluoromethanedisulfonate

C3H7FO6S2 — CID 172806853

IUPACdimethyl fluoromethanedisulfonate
SMILESCOS(=O)(=O)C(F)S(=O)(=O)OC
InChIInChI=1S/C3H7FO6S2/c1-9-11(5,6)3(4)12(7,8)10-2/h3H,1-2H3
InChIKeyRPYPIKTYEHUTMW-UHFFFAOYSA-N
MW222.21 g/mol
LogP-0.81
Rot. Bonds4

About dimethyl fluoromethanedisulfonate

dimethyl fluoromethanedisulfonate (PubChem CID 172806853) has the molecular formula C3H7FO6S2 and a molecular weight of 222.21 g/mol. Its IUPAC name is dimethyl fluoromethanedisulfonate.

Molecular Properties

Compound Namedimethyl fluoromethanedisulfonate
PubChem CID172806853
Molecular FormulaC3H7FO6S2
Molecular Weight222.21 g/mol
Exact Mass221.97
IUPAC Namedimethyl fluoromethanedisulfonate
SMILESCOS(=O)(=O)C(F)S(=O)(=O)OC
InChIInChI=1S/C3H7FO6S2/c1-9-11(5,6)3(4)12(7,8)10-2/h3H,1-2H3
InChIKeyRPYPIKTYEHUTMW-UHFFFAOYSA-N
XLogP-0.81
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.81
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 fluoromethanedisulfonate?
The IUPAC name of dimethyl fluoromethanedisulfonate (CID 172806853) is dimethyl fluoromethanedisulfonate.
What is the SMILES notation for dimethyl fluoromethanedisulfonate?
The canonical SMILES for dimethyl fluoromethanedisulfonate is COS(=O)(=O)C(F)S(=O)(=O)OC.
What is the InChIKey of dimethyl fluoromethanedisulfonate?
The InChIKey is RPYPIKTYEHUTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO6S2/c1-9-11(5,6)3(4)12(7,8)10-2/h3H,1-2H3.
What are the key properties of dimethyl fluoromethanedisulfonate?
dimethyl fluoromethanedisulfonate has a molecular weight of 222.21 g/mol, XLogP of -0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl fluoromethanedisulfonate is sourced from PubChem (CID 172806853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).