Basic information
- CAS
334-44-1- Standard SMILES
N#CCCCCCCF- InChIKey
CFSMWCPJTYADHU-UHFFFAOYSA-N- Molecular formula
- C7H12FN
- Average molar mass
- 129.18 g/mol
- Monoisotopic mass
- 129.09537755
Names & identifiers
- Preferred name
- Heptanonitrile, 7-fluoro-
- IUPAC
- 7-fluoroheptanenitrile
Names & synonyms
HEPTANONITRILE, 7-FLUORO-334-44-17-fluoroheptanenitrile7-FluoroheptanonitrileBRN 1747616DTXSID10187033
Database identifiers
- CAS
334-44-1- PubChem CID
- 9537
- DTXSID
DTXSID10187033- Nikkaji
- J40.819K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 92.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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