Basic information
- CAS
1853206-81-1- Standard SMILES
CCCC12CCC(c3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)cc3)(OC1)OC2- InChIKey
IUXDPWFOBQBJIG-UHFFFAOYSA-N- Molecular formula
- C22H21F5O3
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.14108534
Names & identifiers
- Preferred name
- 3DxtFMeOdFB
- IUPAC
- 1-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenyl]-4-propyl-2,6-dioxabicyclo[2.2.2]octane
Names & synonyms
3DxtFMeOdFBDTXSID6013795251-(3',5'-difluoro-4'-(trifluoromethoxy)-[1,1'-biphenyl]-4-yl)-4-propyl-2,6-dioxabicyclo[2.2.2]octane1-[3a(2),5a(2)-Difluoro-4a(2)-(trifluoromethoxy)[1,1a(2)-biphenyl]-4-yl]-4-propyl-2,6-dioxabicyclo[2.2.2]octane1853206-81-1
Database identifiers
- CAS
1853206-81-1- PubChem CID
- 175685192
- DTXSID
DTXSID601379525
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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