2',3,5-trifluoro-4''-pentyl-1,1':4',1''-Terphenyl
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Basic information
- CAS
857048-79-4- Standard SMILES
CCCCCc1ccc(-c2ccc(-c3cc(F)cc(F)c3)c(F)c2)cc1- InChIKey
QAVGDESNBGHOTL-UHFFFAOYSA-N- Molecular formula
- C23H21F3
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.15953516
Names & identifiers
- Preferred name
- 2',3,5-trifluoro-4''-pentyl-1,1':4',1''-Terphenyl
- IUPAC
- 1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
- English name
- 2',3,5-Trifluoro-4''-propyl-1,1':4',1''-Terphenyl
- Molecular formula
- C23H21F3
- Molecular weight
- 354.41
Names & synonyms
857048-79-42',3,5-trifluoro-4''-pentyl-1,1':4',1''-TerphenylSCHEMBL1816914pentyl-1,1':4',1''- terphenylDB-0764031,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene1,1':4',1''-Terphenyl,2',3,5-trifluoro-4''-pentyl-1,1':4',1''-Terphenyl, 2',3,5-trifluoro-4''-pentyl-
Database identifiers
- CAS
857048-79-4- PubChem CID
- 59328714
- Nikkaji
- J2.782.520F
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Boiling point
- 449 · 449.0±45.0 °C(Predicted)
- Density
- 1.125 · 1.125±0.06 g/cm3(Predicted)
Related reactions
0 records
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Compound notes
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