Basic information
- CAS
408-00-4- Standard SMILES
N#CSCCCF- InChIKey
BQNDVYLVJFLZRV-UHFFFAOYSA-N- Molecular formula
- C4H6FNS
- Average molar mass
- 119.16 g/mol
- Monoisotopic mass
- 119.02049853
Names & identifiers
- Preferred name
- Thiocyanic acid, 3-fluoropropyl ester
- IUPAC
- 3-fluoropropyl thiocyanate
- English name
- Thiocyanic acid 3-fluoropropyl ester
- Molecular weight
- 0
Names & synonyms
408-00-4Thiocyanic acid, 3-fluoropropyl esterDTXSID80193782RefChem:1099986DTXCID201162733-Fluoropropyl thiocyanateBRN 1746162BQNDVYLVJFLZRV-UHFFFAOYSA-NThiocyanic acid 3-fluoropropyl ester
Database identifiers
- CAS
408-00-4- PubChem CID
- 67893
- DTXSID
DTXSID80193782- Nikkaji
- J54.399C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 75
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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