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4-butyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexane)

4-butyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexane)

Formula: C23H33F3O

SMILES: CCCCC1CCC(CC1)C1CCC(CC1)C1=CC=C(OC(F)(F)F)C=C1

IUPAC: 4-butyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexane)

InChI: InChI=1S/C23H33F3O/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)27-23(24,25)26/h13-20H,2-12H2,1H3

Composition: C (72.22%), H (8.70%), F (14.90%), O (4.18%)

Molar Mass: 382.511

Atom Count: 60

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 382.248350172
Formal Charge 0
FSP3 0.74
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey CBZNJTPIKWQADV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 99.37
Topological Polar Surface Area 9.23
Polarizability 39.88
Ring Count 3
Rotatable Bond Count 7

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