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(1'r,4'r)-4'-(3,4-difluorophenyl)-[1,1'-bi(cyclohexane)]-4-one

(1'r,4'r)-4'-(3,4-difluorophenyl)-[1,1'-bi(cyclohexane)]-4-one

CAS: 147622-85-3

Formula: C18H22F2O

SMILES: FC1=C(F)C=C(C=C1)[C@H]1CC[C@@H](CC1)C1CCC(=O)CC1

IUPAC: (1'r,4'r)-4'-(3,4-difluorophenyl)-[1,1'-bi(cyclohexane)]-4-one

InChI: InChI=1/C18H22F2O/c19-17-10-7-15(11-18(17)20)14-3-1-12(2-4-14)13-5-8-16(21)9-6-13/h7,10-14H,1-6,8-9H2/t12-,14-

Composition: C (73.95%), H (7.58%), F (13.00%), O (5.47%)

Molar Mass: 292.37

Atom Count: 43

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 292.163871654
Formal Charge 0
FSP3 0.61
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IUJMYVYPSSBPCX-MQMHXKEQNA-N
Lipinski's Rule of Five
Molar Refractivity 79.02
Topological Polar Surface Area 17.07
Polarizability 30.29
Ring Count 3
Rotatable Bond Count 2

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