Basic information
- CAS
407-99-8- Standard SMILES
O=C=NCCCF- InChIKey
QNUBQVQVKVHSFL-UHFFFAOYSA-N- Molecular formula
- C4H6FNO
- Average molar mass
- 103.09 g/mol
- Monoisotopic mass
- 103.04334198
Names & identifiers
- Preferred name
- Isocyanic acid, 3-fluoropropyl ester
- IUPAC
- 1-fluoro-3-isocyanatopropane
Names & synonyms
3-Fluoropropyl isocyanate407-99-8ISOCYANIC ACID, 3-FLUOROPROPYL ESTERBRN 1749080DTXSID00193683RefChem:349589DTXCID401161744-04-00-00497 (Beilstein Handbook Reference)1-fluoro-3-isocyanatopropanefluoropropyl isocyanateSCHEMBL8684756EN300-281549
Database identifiers
- CAS
407-99-8- PubChem CID
- 9850
- DTXSID
DTXSID00193683- Nikkaji
- J53.652K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 77.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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