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159386-31-9 | 1,4-Dioxaspiro[4.5]decane, 8-[trans-4-(3,4,5-trifluorophenyl)cyclohexyl]-
CAS No: 159386-31-9 Catalog No: AG001QN6 MDL No:
Product Description
Catalog Number:
AG001QN6
Chemical Name:
1,4-Dioxaspiro[4.5]decane, 8-[trans-4-(3,4,5-trifluorophenyl)cyclohexyl]-
CAS Number:
159386-31-9
Molecular Formula:
C20H25F3O2
Molecular Weight:
354.4065
IUPAC Name:
8-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
InChI:
InChI=1S/C20H25F3O2/c21-17-11-16(12-18(22)19(17)23)14-3-1-13(2-4-14)15-5-7-20(8-6-15)24-9-10-25-20/h11-15H,1-10H2
InChI Key:
UJBSZMMJFROHJE-UHFFFAOYSA-N
SMILES:
Fc1c(F)cc(cc1F)[C@@H]1CC[C@H](CC1)C1CCC2(CC1)OCCO2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.181g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.413g/mol
Monoisotopic Mass:
354.181g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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