Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCC1(CCC(=O)CCC)Cc2c(cc(F)c(N)c2F)C1=O- InChIKey
ZGWMCMVKZBQWQQ-UHFFFAOYSA-N- Molecular formula
- C19H25F2NO2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.18533536
Names & identifiers
- Preferred name
- 5-Amino-2-butyl-4,6-difluoro-2-(3-oxohexyl)-1-indanone
- IUPAC
- 5-amino-2-butyl-4,6-difluoro-2-(3-oxohexyl)-3H-inden-1-one
Names & synonyms
SCHEMBL5343850ZGWMCMVKZBQWQQ-UHFFFAOYSA-N5-amino-2-butyl-4,6-difluoro-2-(3-oxohexyl)-1-indanone
Database identifiers
- PubChem CID
- 21072003
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Related reactions
3 records
Compound notes
Loading…