Basic information
- CAS
133914-50-8- Standard SMILES
CCCCCC1CCC(C2CCC(CCc3ccc(OC(F)(F)F)cc3)CC2)CC1- InChIKey
RYMLZGLQIFOCLA-UHFFFAOYSA-N- Molecular formula
- C26H39F3O
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.29530035
Names & identifiers
- Preferred name
- Benzene, 1-[2-(4'-pentyl[1,1'-bicyclohexyl]-4-yl)ethyl]-4-(trifluoromethoxy)-
- IUPAC
- 1-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene
Names & synonyms
Benzene, 1-[2-(4'-pentyl[1,1'-bicyclohexyl]-4-yl)ethyl]-4-(trifluoromethoxy)-SCHEMBL4795661SCHEMBL4795672SCHEMBL8433888DTXSID601123712133914-50-8(1s,1'r,4r,4'r)-4-Pentyl-4'-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,1'-bi(cyclohexane)1-[2-[(trans,trans)-4a(2)-Pentyl[1,1a(2)-bicyclohexyl]-4-yl]ethyl]-4-(trifluoromethoxy)benzene
Database identifiers
- CAS
133914-50-8- PubChem CID
- 600660
- DTXSID
DTXSID601123712- EC Number
- 603-779-0
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 453
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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