Basic information
- CAS
101858-32-6- Standard SMILES
CC(O)C(CCCCC#N)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
FNRJWAUAFAMIGN-UHFFFAOYSA-N- Molecular formula
- C11H15F6NO2
- Average molar mass
- 307.23 g/mol
- Monoisotopic mass
- 307.10069769
Names & identifiers
- Preferred name
- Octanenitrile, 7-hydroxy-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-
- IUPAC
- 8,8,8-trifluoro-7-hydroxy-6-(1-hydroxyethyl)-7-(trifluoromethyl)octanenitrile
Names & synonyms
101858-32-6OCTANENITRILE, 7-HYDROXY-6-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXY-2-PROPYL)-RefChem:10938067-Hydroxy-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)octanenitrile8,8,8-trifluoro-7-hydroxy-6-(1-hydroxyethyl)-7-(trifluoromethyl)octanenitrile2-Hydroxy-3-(1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl octanenitrileDTXSID50906760Octanenitrile, 8,8,8-trifluoro-7-hydroxy-6-(1-hydroxyethyl)-7-(trifluoromethyl)-
Database identifiers
- CAS
101858-32-6- PubChem CID
- 59063
- DTXSID
DTXSID50906760
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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