Basic information
- CAS
353-18-4- Standard SMILES
N#CCCOCCF- InChIKey
NTBYEBVGKXKYSB-UHFFFAOYSA-N- Molecular formula
- C5H8FNO
- Average molar mass
- 117.12 g/mol
- Monoisotopic mass
- 117.05899204
Names & identifiers
- Preferred name
- Propionitrile, 3-(2-fluoroethoxy)-
- IUPAC
- 3-(2-fluoroethoxy)propanenitrile
- English name
- 3-(2-Fluoroethoxy)propionitrile
- Molecular formula
- C5H8FNO
- Molecular weight
- 117.12
Names & synonyms
Propionitrile, 3-(2-fluoroethoxy)-2-Cyano-2'-fluorodiethyl ether353-18-43-(2-Fluoroethoxy)propionitrile2-Fluoro-2'-cyanodiethyl etherBRN 1746830Ether, 2-cyanoethyl 2'-fluoroethylPropanenitrile, 3-(2-fluoroethoxy)-DTXSID901888013-03-00-00538 (Beilstein Handbook Reference)RefChem:375254DTXCID10111292
Show more names
3-(2-fluoroethoxy)propanenitrileSCHEMBL15023918FF80270
Database identifiers
- CAS
353-18-4- PubChem CID
- 67706
- DTXSID
DTXSID90188801- Nikkaji
- J51.100E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 85.7
Physicochemical properties
- Boiling point
- 162 °C · 162°C (rough estimate)
- Density
- 1.0725 · 1.0725 (estimate)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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