1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate
Basic information
- CAS
84836-44-2- Standard SMILES
C#CC(OS(=O)(=O)C(F)(F)F)=C1C2CC3CC(C2)CC1C3- InChIKey
YWZGGYYRGJTSNF-UHFFFAOYSA-N- Molecular formula
- C14H15F3O3S
- Average molar mass
- 320.33 g/mol
- Monoisotopic mass
- 320.0694
Names & identifiers
- Preferred name
- 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate
- IUPAC
- 1-(2-adamantylidene)prop-2-ynyl trifluoromethanesulfonate
Names & synonyms
84836-44-21-(2-adamantylidene)prop-2-ynyl trifluoromethanesulfonateNSC350633DTXSID70319797NSC-3506331-(Tricyclo[3.3.1.1~3,7~]decan-2-ylidene)prop-2-yn-1-yl trifluoromethanesulfonate
Database identifiers
- CAS
84836-44-2- PubChem CID
- 336428
- DTXSID
DTXSID70319797
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 601
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Compound notes
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