Basic information
- CAS
1776952-39-6- Standard SMILES
FC(F)CN1C[C@@H]2C[C@H]1CN2- InChIKey
MBUDOQLVBKLJBO-WDSKDSINSA-N- Molecular formula
- C7H12F2N2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.09685472
Names & identifiers
- Preferred name
- (1S,4S)-2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
- IUPAC
- (1S,4S)-2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
Names & synonyms
(1S,4S)-2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane1776952-39-6EN300-7504606
Database identifiers
- CAS
1776952-39-6- PubChem CID
- 129012702
- EC Number
- 884-446-9
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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