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(1's,4'r)-4-(4-fluorophenyl)-4'-propyl-1,1'-bi(cyclohexane)

(1's,4'r)-4-(4-fluorophenyl)-4'-propyl-1,1'-bi(cyclohexane)

CAS: 82832-27-7

Formula: C21H31F

SMILES: CCC[C@H]1CC[C@@H](CC1)C1CC[C@@H](CC1)C1=CC=C(F)C=C1

IUPAC: (1's,4'r)-4-(4-fluorophenyl)-4'-propyl-1,1'-bi(cyclohexane)

InChI: InChI=1/C21H31F/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h12-19H,2-11H2,1H3/t16-,17-,18?,19-

Composition: C (83.39%), H (10.33%), F (6.28%)

Molar Mass: 302.477

Atom Count: 53

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 302.240979161
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey IKODGORUTZMKPL-ISDOAFHYNA-N
Lipinski's Rule of Five
Molar Refractivity 91.92
Topological Polar Surface Area 0
Polarizability 36.09
Ring Count 3
Rotatable Bond Count 4

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