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4-[difluoro(3,4,5-trifluorophenoxy)methyl]-4'-propyl-1,1'-bi(cyclohexane)

4-[difluoro(3,4,5-trifluorophenoxy)methyl]-4'-propyl-1,1'-bi(cyclohexane)

Formula: C22H29F5O

SMILES: CCCC1CCC(CC1)C1CCC(CC1)C(F)(F)OC1=CC(F)=C(F)C(F)=C1

IUPAC: 4-[difluoro(3,4,5-trifluorophenoxy)methyl]-4'-propyl-1,1'-bi(cyclohexane)

InChI: InChI=1S/C22H29F5O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26,27)28-18-12-19(23)21(25)20(24)13-18/h12-17H,2-11H2,1H3

Composition: C (65.33%), H (7.23%), F (23.49%), O (3.96%)

Molar Mass: 404.465

Atom Count: 57

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 404.213856369
Formal Charge 0
FSP3 0.73
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QCRXXWNFJYKLHB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 98.78
Topological Polar Surface Area 9.23
Polarizability 37.59
Ring Count 3
Rotatable Bond Count 6

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