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

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

Formula: C21H27F5O

SMILES: CCC1CCC(CC1)C1CCC(CC1)C(F)(F)OC1=CC(F)=C(F)C(F)=C1

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

InChI: InChI=1S/C21H27F5O/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(25,26)27-17-11-18(22)20(24)19(23)12-17/h11-16H,2-10H2,1H3

Composition: C (64.60%), H (6.97%), F (24.33%), O (4.10%)

Molar Mass: 390.438

Atom Count: 54

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 390.198206304
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QDQBCDLRUZIZSB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 94.18
Topological Polar Surface Area 9.23
Polarizability 35.77
Ring Count 3
Rotatable Bond Count 5

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