Basic information
- CAS
463-31-0- Standard SMILES
N#CCCCCOCCCCF- InChIKey
VQQZZGDDUPEHAX-UHFFFAOYSA-N- Molecular formula
- C9H16FNO
- Average molar mass
- 173.23 g/mol
- Monoisotopic mass
- 173.1215923
Names & identifiers
- Preferred name
- Ether, 4-cyanobutyl 4'-fluorobutyl
- IUPAC
- 5-(4-fluorobutoxy)pentanenitrile
- English name
- 4-Cyanobutyl 4-fluorobutyl ether
- Molecular formula
- C9H16FNO
- Molecular weight
- 173.23
Names & synonyms
463-31-04-Fluoro-4'-cyanodibutyl etherETHER, 4-CYANOBUTYL 4'-FLUOROBUTYL4-Cyano-4'-fluorodibutyl etherBRN 1763153DTXSID801967984-03-00-00814 (Beilstein Handbook Reference)RefChem:341529DTXCID201192894-Cyanobutyl 4-fluorobutyl ether5-(4-fluorobutoxy)pentanenitrilePentanenitrile, 5-(4-fluorobutoxy)-
Database identifiers
- CAS
463-31-0- PubChem CID
- 10035
- DTXSID
DTXSID80196798- Nikkaji
- J92.995F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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