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(1s,1'r,4r,4'r)-4-ethyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane)

(1s,1'r,4r,4'r)-4-ethyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane)

CAS: 139215-80-8

Formula: C20H27F3

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

IUPAC: (1s,1'r,4r,4'r)-4-ethyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexane)

InChI: InChI=1/C20H27F3/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h11-16H,2-10H2,1H3/t13-,14-,15-,16-

Composition: C (74.04%), H (8.39%), F (17.57%)

Molar Mass: 324.431

Atom Count: 50

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 324.206485358
Formal Charge 0
FSP3 0.7
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey DXFHMMVZUZLQFU-BIAGXBKMNA-N
Lipinski's Rule of Five
Molar Refractivity 87.75
Topological Polar Surface Area 0
Polarizability 33.56
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 139215-80-8 $9.20-$113.85$9.20$29.90$113.85
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