2-(Adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-trifluoromethylpropane-1-sulfonate

HCID 59445693
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Basic information

Standard SMILES
O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIKey
GMGXDGYAZMNABT-UHFFFAOYSA-M
Molecular formula
C15H17F6O5S-
Average molar mass
423.3 g/mol

Names & identifiers

Preferred name
2-(Adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-trifluoromethylpropane-1-sulfonate
IUPAC
2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate

Names & synonyms

GMGXDGYAZMNABT-UHFFFAOYSA-M2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-trifluoromethylpropane-1-sulfonate

Database identifiers

PubChem CID
59445693
Nikkaji
J3.496.437H

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
91.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
4
Heavy atoms
27

Related reactions

2 records
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Compound notes

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