Basic information
- CAS
1561791-89-6- Standard SMILES
CCCCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1- InChIKey
SPGLYBJKELJTAG-UHFFFAOYSA-N- Molecular formula
- C24H20F6O
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.14183423
Names & identifiers
- Preferred name
- tFPO-CF2-5FB
- IUPAC
- 5-[difluoro-[2-fluoro-4-(4-pentylphenyl)phenyl]methoxy]-1,2,3-trifluorobenzene
Names & synonyms
tFPO-CF2-5FBDTXSID9013780194-(difluoro(3,4,5-trifluorophenoxy)methyl)-3-fluoro-4'-pentyl-1,1'-biphenyl4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-3-fluoro-4a(2)-pentyl-1,1a(2)-biphenyl1561791-89-6
Database identifiers
- CAS
1561791-89-6- PubChem CID
- 175685898
- DTXSID
DTXSID901378019
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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