Basic information
- Standard SMILES
CC(C)(C)CCN=Cc1cccc(F)c1N1CCC(F)(F)C1- InChIKey
GXRISWIDHASLGS-UHFFFAOYSA-N- Molecular formula
- C17H23F3N2
- Average molar mass
- 312.37 g/mol
Names & identifiers
- Preferred name
- N-(2-(3,3-Difluoropyrrolidin-1-yl)-3-fluorobenzylidene)-3,3-dimethylbutan-1-amine
- IUPAC
- 1-[2-(3,3-difluoropyrrolidin-1-yl)-3-fluorophenyl]-N-(3,3-dimethylbutyl)methanimine
Names & synonyms
N-(2-(3,3-Difluoropyrrolidin-1-yl)-3-fluorobenzylidene)-3,3-dimethylbutan-1-amineSCHEMBL2104127SCHEMBL2104129SCHEMBL2604351GXRISWIDHASLGS-SRZZPIQSSA-NGXRISWIDHASLGS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57774377
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Related reactions
4 records
Compound notes
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