Basic information
- CAS
140681-54-5- Standard SMILES
F[N+]12CC[N+](CCl)(CC1)CC2- InChIKey
ZQGDSZPGKPJABN-UHFFFAOYSA-N- Molecular formula
- C7H14ClFN2+2
- Average molar mass
- 180.65 g/mol
- Monoisotopic mass
- 180.08185719
Names & identifiers
- Preferred name
- 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane
- IUPAC
- 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane
Names & synonyms
1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octaneDTXSID401336614140681-54-51-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octaneRefChem:1054620DTXCID90198389n-fluoro-n'-chloromethyltriethylenediaminebis(tetrafluoroborate)SCHEMBL141275ZQGDSZPGKPJABN-UHFFFAOYSA-N1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane
Database identifiers
- CAS
140681-54-5- PubChem CID
- 2724934
- DTXSID
DTXSID401336614- Nikkaji
- J456.243G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 2
- Complexity
- 149
Related reactions
23 records
Compound notes
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