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4-ethyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexane)

4-ethyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexane)

CAS: 135734-59-7

Formula: C21H29F3O

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

IUPAC: 4-ethyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexane)

InChI: InChI=1S/C21H29F3O/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(14-12-19)25-21(22,23)24/h11-18H,2-10H2,1H3

Composition: C (71.16%), H (8.25%), F (16.08%), O (4.51%)

Molar Mass: 354.457

Atom Count: 54

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 354.217050043
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey PBIFTROFCZATFC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 90.17
Topological Polar Surface Area 9.23
Polarizability 36.21
Ring Count 3
Rotatable Bond Count 5

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