Basic information
- Standard SMILES
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2Cc3ccc(CF)nc3N21- InChIKey
FJMPCSMAUANGNN-BXUZGUMPSA-N- Molecular formula
- C17H24FN3O2
- Average molar mass
- 321.4 g/mol
Names & identifiers
- Preferred name
- (4R,9aR)-6-Fluoromethyl-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (9R,13R)-4-(fluoromethyl)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylate
Names & synonyms
SCHEMBL5223426FJMPCSMAUANGNN-BXUZGUMPSA-N(4R,9aR)-6-Fluoromethyl-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69360199
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
1 records
Compound notes
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