2-Fluoro-4,5,5-trimethyltricyclo[2.2.1.0~2,6~]heptan-3-one
Basic information
- CAS
69052-88-6- Standard SMILES
CC12CC3C(C3(F)C1=O)C2(C)C- InChIKey
UKYDLIPGSJCACG-UHFFFAOYSA-N- Molecular formula
- C10H13FO
- Average molar mass
- 168.21 g/mol
- Monoisotopic mass
- 168.0950432
Names & identifiers
- Preferred name
- 2-Fluoro-4,5,5-trimethyltricyclo[2.2.1.0~2,6~]heptan-3-one
- IUPAC
- 2-fluoro-4,5,5-trimethyltricyclo[2.2.1.02,6]heptan-3-one
- English name
- Tricyclo[2.2.1.02,6]heptanone, 2-fluoro-4,5,5-trimethyl- (9CI)
- Molecular formula
- C10H13FO
- Molecular weight
- 0
Names & synonyms
69052-88-6DTXSID306175692-Fluoro-4,5,5-trimethyltricyclo[2.2.1.0~2,6~]heptan-3-oneTricyclo[2.2.1.02,6]heptanone, 2-fluoro-4,5,5-trimethyl- (9CI)
Database identifiers
- CAS
69052-88-6- PubChem CID
- 21731334
- DTXSID
DTXSID30617569
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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