O'-fluoro fluoromethyl methanedisulfonate

C2H4F2O6S2 — CID 59167638

IUPACO'-fluoro fluoromethyl methanedisulfonate
SMILESO=S(=O)(CS(=O)(=O)OCF)OF
InChIInChI=1S/C2H4F2O6S2/c3-1-9-11(5,6)2-12(7,8)10-4/h1-2H2
InChIKeyFJSDJWDRMZLLHC-UHFFFAOYSA-N
MW226.18 g/mol
LogP-0.55
Rot. Bonds5

About O'-fluoro fluoromethyl methanedisulfonate

O'-fluoro fluoromethyl methanedisulfonate (PubChem CID 59167638) has the molecular formula C2H4F2O6S2 and a molecular weight of 226.18 g/mol. Its IUPAC name is O'-fluoro fluoromethyl methanedisulfonate.

Molecular Properties

Compound NameO'-fluoro fluoromethyl methanedisulfonate
PubChem CID59167638
Molecular FormulaC2H4F2O6S2
Molecular Weight226.18 g/mol
Exact Mass225.94
IUPAC NameO'-fluoro fluoromethyl methanedisulfonate
SMILESO=S(=O)(CS(=O)(=O)OCF)OF
InChIInChI=1S/C2H4F2O6S2/c3-1-9-11(5,6)2-12(7,8)10-4/h1-2H2
InChIKeyFJSDJWDRMZLLHC-UHFFFAOYSA-N
XLogP-0.55
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.55
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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Related Compounds

Fluoromethanesulfonic anhydride
CID 53779707
Fluoromethyl fluoromethanesulfonate
CID 19797724
Fluorosulfonylmethoxymethanesulfonyl fluoride
CID 57583542
Dimethyl difluoromethanedisulfonate
CID 58773913
3,6-Difluoro-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide
CID 86065882
O'-(difluoromethyl) methyl methanedisulfonate
CID 89518715
Difluoromethoxysulfonylmethanesulfonic acid
CID 89892306
Bis(fluoromethyl) methanedisulfonate
CID 129108409
Bis(fluoromethylsulfonyloxy)tin
CID 141280370
Methoxysulfonylmethyl trifluoromethanesulfonate
CID 160236601
Dimethyl fluoromethanedisulfonate
CID 172806853
Methoxysulfonyl difluoromethanesulfonate
CID 152027346

Frequently Asked Questions

What is the IUPAC name of O'-fluoro fluoromethyl methanedisulfonate?
The IUPAC name of O'-fluoro fluoromethyl methanedisulfonate (CID 59167638) is O'-fluoro fluoromethyl methanedisulfonate.
What is the SMILES notation for O'-fluoro fluoromethyl methanedisulfonate?
The canonical SMILES for O'-fluoro fluoromethyl methanedisulfonate is O=S(=O)(CS(=O)(=O)OCF)OF.
What is the InChIKey of O'-fluoro fluoromethyl methanedisulfonate?
The InChIKey is FJSDJWDRMZLLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2O6S2/c3-1-9-11(5,6)2-12(7,8)10-4/h1-2H2.
What are the key properties of O'-fluoro fluoromethyl methanedisulfonate?
O'-fluoro fluoromethyl methanedisulfonate has a molecular weight of 226.18 g/mol, XLogP of -0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O'-fluoro fluoromethyl methanedisulfonate is sourced from PubChem (CID 59167638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).