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4-[3,5-difluoro-4-(octan-2-yloxy)phenyl]-4'-propyl-1,1'-bi(cyclohexane)

4-[3,5-difluoro-4-(octan-2-yloxy)phenyl]-4'-propyl-1,1'-bi(cyclohexane)

Formula: C29H46F2O

SMILES: CCCCCCC(C)OC1=C(F)C=C(C=C1F)C1CCC(CC1)C1CCC(CCC)CC1

IUPAC: 4-[3,5-difluoro-4-(octan-2-yloxy)phenyl]-4'-propyl-1,1'-bi(cyclohexane)

InChI: InChI=1/C29H46F2O/c1-4-6-7-8-10-21(3)32-29-27(30)19-26(20-28(29)31)25-17-15-24(16-18-25)23-13-11-22(9-5-2)12-14-23/h19-25H,4-18H2,1-3H3

Composition: C (77.63%), H (10.33%), F (8.47%), O (3.57%)

Molar Mass: 448.683

Atom Count: 78

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 448.351672427
Formal Charge 0
FSP3 0.79
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey VDXVHNIYCHTFIC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 130.69
Topological Polar Surface Area 9.23
Polarizability 51.12
Ring Count 3
Rotatable Bond Count 11

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