Basic information
- CAS
82770-48-7- Standard SMILES
CC(C)C(C(F)C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1- InChIKey
DSSFNGQBDOOLFJ-UHFFFAOYSA-N- Molecular formula
- C27H30FNO2
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.22605736
Names & identifiers
- Preferred name
- Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate
- IUPAC
- benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate
Names & synonyms
NSC36730782770-48-7benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoateDTXSID80320970NSC-367307DS-007240benzyl 3-(dibenzylamino)-2-fluoro-4-methyl-pentanoate
Database identifiers
- CAS
82770-48-7- PubChem CID
- 339684
- DTXSID
DTXSID80320970
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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