Benzeneacetic acid, 3-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
Basic information
- CAS
16048-45-6- Standard SMILES
CN1C2CCC1CC(OC(=O)Cc1cccc(F)c1)C2- InChIKey
SKFBCNNCGWHFDQ-UHFFFAOYSA-N- Molecular formula
- C16H20FNO2
- Average molar mass
- 277.33 g/mol
- Monoisotopic mass
- 277.14780704
Names & identifiers
- Preferred name
- Benzeneacetic acid, 3-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-fluorophenyl)acetate
Names & synonyms
16048-45-6Acetic acid, (m-fluorophenyl)-, tropan-3-yl ester hydrochlorideBenzeneacetic acid, 3-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl esterRefChem:324136DTXSID209363178-Methyl-8-azabicyclo[3.2.1]octan-3-yl (3-fluorophenyl)acetate
Database identifiers
- CAS
16048-45-6- PubChem CID
- 85950
- DTXSID
DTXSID20936317
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
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Related reactions
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Compound notes
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