Basic information
- CAS
334-52-1- Standard SMILES
FCCCCCCN=C=S- InChIKey
IAEURLMFXYVGGE-UHFFFAOYSA-N- Molecular formula
- C7H12FNS
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.06744872
Names & identifiers
- Preferred name
- Isothiocyanic acid, 6-fluorohexyl ester
- IUPAC
- 1-fluoro-6-isothiocyanatohexane
Names & synonyms
6-Fluorohexyl isothiocyanate334-52-1ISOTHIOCYANIC ACID, 6-FLUOROHEXYL ESTERBRN 1758830DTXSID301870354-04-00-00719 (Beilstein Handbook Reference)RefChem:350182DTXCID401095261-fluoro-6-isothiocyanatohexane
Database identifiers
- CAS
334-52-1- PubChem CID
- 9540
- DTXSID
DTXSID30187035- Nikkaji
- J41.498K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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