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4-pentyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane)

4-pentyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane)

CAS: 137644-54-3

Formula: C23H33F3

SMILES: CCCCCC1CCC(CC1)C1CCC(CC1)C1=CC(F)=C(F)C(F)=C1

IUPAC: 4-pentyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane)

InChI: InChI=1S/C23H33F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h14-19H,2-13H2,1H3

Composition: C (75.37%), H (9.08%), F (15.55%)

Molar Mass: 366.512

Atom Count: 59

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 366.253435552
Formal Charge 0
FSP3 0.74
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey TXHFUCYJBLLNIG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 101.55
Topological Polar Surface Area 0
Polarizability 39.06
Ring Count 3
Rotatable Bond Count 6

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