4-(Trifluoromethyl)-1-cyclohexen-1-yl trifluoromethanesulfonate

HCID 11601816

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Basic information

CAS: 865869-25-6
Standard SMILES: O=S(=O)(OC1=CCC(C(F)(F)F)CC1)C(F)(F)F
InChIKey: XVRIZNBATJKPER-UHFFFAOYSA-N
Molecular formula: C8H8F6O3S
Average molar mass: 298.2 g/mol
Monoisotopic mass: 298.00983426

Names & identifiers

Preferred name: 4-(Trifluoromethyl)-1-cyclohexen-1-yl trifluoromethanesulfonate
IUPAC: [4-(trifluoromethyl)cyclohexen-1-yl] trifluoromethanesulfonate

Names & synonyms

4-(trifluoromethyl)-1-cyclohexen-1-yl trifluoromethanesulfonate4-(trifluoromethyl)cyclohex-1-en-1-yl trifluoromethanesulfonate865869-25-6SCHEMBL4016506DTXSID4011577094-(Trifluoromethyl)cyclohex-1-enyl trifluoromethanesulfonate4-(Trifluoromethyl)-1-cyclohexen-1-yl 1,1,1-trifluoromethanesulfonate

Database identifiers

CAS: 865869-25-6
PubChem CID: 11601816
DTXSID: DTXSID401157709

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 427

Related reactions

1 records

New reaction record

HRID 591064As reactantuspto-grants-2016_01

Compound notes

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