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Basic information
- Standard SMILES
CCCCC1Cc2c(cc(F)c(N)c2F)C1=O- InChIKey
ZHYSRQLOHXIFOU-UHFFFAOYSA-N- Molecular formula
- C13H15F2NO
- Average molar mass
- 239.26 g/mol
- Monoisotopic mass
- 239.11217043
Names & identifiers
- Preferred name
- 5-Amino-2-butyl-4,6-difluoro-1-indanone
- IUPAC
- 5-amino-2-butyl-4,6-difluoro-2,3-dihydroinden-1-one
Names & synonyms
SCHEMBL5339600ZHYSRQLOHXIFOU-UHFFFAOYSA-N5-amino-2-butyl-4,6-difluoro-1-indanone
Database identifiers
- PubChem CID
- 21072002
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
1 records
Compound notes
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