4,4-Dimethylcyclohex-1-ene-1-triflate

HCID 13411668

Basic information

Standard SMILES
CC1(C)CC=C(OS(=O)(=O)C(F)(F)F)CC1
InChIKey
DAUZTLHPOWEJFF-UHFFFAOYSA-N
Molecular formula
C9H13F3O3S
Average molar mass
258.26 g/mol

Names & identifiers

Preferred name
4,4-Dimethylcyclohex-1-ene-1-triflate
IUPAC
(4,4-dimethylcyclohexen-1-yl) trifluoromethanesulfonate

Names & synonyms

98056-47-44,4-dimethylcyclohex-1-ene-1-triflate4,4-Dimethyl-1-cyclohexen-1-yl trifluoromethanesuIfonateSCHEMBL38034894,4-Dimethylcyclohex-1-en-1-yl trifluoromethanesulfonateTrifluoromethanesulfonic acid 4,4-dimethyl-1-cyclohexenyl esterMFCD26142006H69403trifluoromethanesulfonic acid 4,4-dimethylcyclohex-1-enyl ester

Database identifiers

PubChem CID
13411668
Nikkaji
J1.885.067B

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
16

Related reactions

3 records

Linked notes

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