Text Search
Structure Search

(1s,1'r,4r,4'r)-4-propyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexane)

(1s,1'r,4r,4'r)-4-propyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexane)

CAS: 133937-72-1

Formula: C22H31F3O

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

IUPAC: (1s,1'r,4r,4'r)-4-propyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexane)

InChI: InChI=1/C22H31F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h12-19H,2-11H2,1H3/t16-,17-,18-,19-

Composition: C (71.71%), H (8.48%), F (15.47%), O (4.34%)

Molar Mass: 368.484

Atom Count: 57

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 368.232700107
Formal Charge 0
FSP3 0.73
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AJQMFUYBFQQAKA-VVPTUSLJNA-N
Lipinski's Rule of Five
Molar Refractivity 94.77
Topological Polar Surface Area 9.23
Polarizability 38.04
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
LabNetwork INC
Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 133937-72-1 $202.50$202.50
Request Quote