Basic information
- CAS
353-16-2- Standard SMILES
O=C=NCCCCF- InChIKey
WPILDNCAFFGLCC-UHFFFAOYSA-N- Molecular formula
- C5H8FNO
- Average molar mass
- 117.12 g/mol
- Monoisotopic mass
- 117.05899204
Names & identifiers
- Preferred name
- 1-Fluoro-4-isocyanatobutane
- IUPAC
- 1-fluoro-4-isocyanatobutane
- English name
- 4-Fluorobutyl isocyanate
- Molecular formula
- C5H8FNO
- Molecular weight
- 117.12
Names & synonyms
1-fluoro-4-isocyanatobutane353-16-2DTXSID20956732RefChem:1055486DTXCID8013846894-Fluorobutyl isocyanateBRN 1751311ISOCYANIC ACID, 4-FLUOROBUTYL ESTEREN300-1839797Butane, 1-fluoro-4-isocyanato-
Database identifiers
- CAS
353-16-2- PubChem CID
- 9613
- DTXSID
DTXSID20956732- Nikkaji
- J41.086A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.4
Physicochemical properties
- Boiling point
- 162 °C · 162°C (rough estimate)
- Density
- 1.0725 · 1.0725 (estimate)
- CAS DataBase Reference
- 353 · 353-16-2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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