Basic information
- CAS
408-28-6- Standard SMILES
N#CSCCCCCCF- InChIKey
IQVNZWORTXPRJG-UHFFFAOYSA-N- Molecular formula
- C7H12FNS
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.06744872
Names & identifiers
- Preferred name
- Thiocyanic acid, 6-fluorohexyl ester
- IUPAC
- 6-fluorohexyl thiocyanate
- English name
- Thiocyanic acid 6-fluorohexyl ester
- Molecular formula
- C7H12FNS
- Molecular weight
- 161.24
Names & synonyms
408-28-6Thiocyanic acid, 6-fluorohexyl esterDTXSID40193788RefChem:1099989DTXCID801162796-Fluorohexyl thiocyanateBRN 1755623Thiocyanic acid 6-fluorohexyl ester
Database identifiers
- CAS
408-28-6- PubChem CID
- 67894
- DTXSID
DTXSID40193788- Nikkaji
- J48.848H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 107
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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