3,4,5-Trifluoro-4'-[(trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-1,1'-biphenyl

• Catalog Number: ACM137529409
• Product Name: 3,4,5-Trifluoro-4'-[(trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-1,1'-biphenyl
• CAS: 137529-40-9
• Category: Heterocyclic Organic Compound
• IUPAC Name: 5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
• Molecular Weight: 400.5g/mol
• Molecular Formula: C26H31F3
• Canonical SMILES: CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C(=C4)F)F)F
• InChI: InChI=1S/C26H31F3/c1-2-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-24(27)26(29)25(28)16-23/h11-20H,2-10H2,1H3
• InChI Key: ZLIZIVXWHBEWMW-UHFFFAOYSA-N
• Complexity: 472
• Covalently-Bonded Unit Count: 1
• Exact Mass: 400.237785g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 29
• Monoisotopic Mass: 400.237785g/mol
• Rotatable Bond Count: 4
• XLogP3: 9.6