5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane

C214H174F62O22 — CID 160676556

IUPAC5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane
SMILESCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCC1COC(c2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCC1COC(c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCC1COC(c2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1
InChIInChI=1S/C28H24F8O3.C28H25F7O2.2C27H22F8O3.C27H23F7O2.2C26H20F8O3.C25H18F8O3/c1-2-3-4-5-15-13-37-27(38-14-15)16-6-7-19(20(29)8-16)28(35,36)39-18-11-21(30)25(22(31)12-18)17-9-23(32)26(34)24(33)10-17;1-2-3-4-5-16-14-36-27(37-15-16)18-7-9-20(23(30)11-18)17-6-8-21(22(29)10-17)19-12-24(31)26(25(32)13-19)28(33,34)35;1-2-3-4-14-12-36-26(37-13-14)16-9-20(29)24(21(30)10-16)27(34,35)38-17-5-6-18(19(28)11-17)15-7-22(31)25(33)23(32)8-15;1-2-3-4-14-12-36-26(37-13-14)15-5-6-18(19(28)7-15)27(34,35)38-17-10-20(29)24(21(30)11-17)16-8-22(31)25(33)23(32)9-16;1-2-3-4-15-13-35-26(36-14-15)17-6-8-19(22(29)10-17)16-5-7-20(21(28)9-16)18-11-23(30)25(24(31)12-18)27(32,33)34;1-2-3-13-11-35-25(36-12-13)15-8-19(28)23(20(29)9-15)26(33,34)37-16-4-5-17(18(27)10-16)14-6-21(30)24(32)22(31)7-14;1-2-3-13-11-35-25(36-12-13)14-4-5-17(18(27)6-14)26(33,34)37-16-9-19(28)23(20(29)10-16)15-7-21(30)24(32)22(31)8-15;1-2-12-10-34-24(35-11-12)14-7-18(27)22(19(28)8-14)25(32,33)36-15-3-4-16(17(26)9-15)13-5-20(29)23(31)21(30)6-13/h6-12,15,27H,2-5,13-14H2,1H3;6-13,16,27H,2-5,14-15H2,1H3;2*5-11,14,26H,2-4,12-13H2,1H3;5-12,15,26H,2-4,13-14H2,1H3;2*4-10,13,25H,2-3,11-12H2,1H3;3-9,12,24H,2,10-11H2,1H3
InChIKeyRNPHVARMVBMBOL-UHFFFAOYSA-N
MW4275.60 g/mol
LogP65.12
Rot. Bonds58

About 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane

5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane (PubChem CID 160676556) has the molecular formula C214H174F62O22 and a molecular weight of 4275.60 g/mol. Its IUPAC name is 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane
PubChem CID160676556
Molecular FormulaC214H174F62O22
Molecular Weight4275.60 g/mol
Exact Mass4273.15
IUPAC Name5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane
SMILESCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCC1COC(c2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCC1COC(c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCC1COC(c2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1
InChIInChI=1S/C28H24F8O3.C28H25F7O2.2C27H22F8O3.C27H23F7O2.2C26H20F8O3.C25H18F8O3/c1-2-3-4-5-15-13-37-27(38-14-15)16-6-7-19(20(29)8-16)28(35,36)39-18-11-21(30)25(22(31)12-18)17-9-23(32)26(34)24(33)10-17;1-2-3-4-5-16-14-36-27(37-15-16)18-7-9-20(23(30)11-18)17-6-8-21(22(29)10-17)19-12-24(31)26(25(32)13-19)28(33,34)35;1-2-3-4-14-12-36-26(37-13-14)16-9-20(29)24(21(30)10-16)27(34,35)38-17-5-6-18(19(28)11-17)15-7-22(31)25(33)23(32)8-15;1-2-3-4-14-12-36-26(37-13-14)15-5-6-18(19(28)7-15)27(34,35)38-17-10-20(29)24(21(30)11-17)16-8-22(31)25(33)23(32)9-16;1-2-3-4-15-13-35-26(36-14-15)17-6-8-19(22(29)10-17)16-5-7-20(21(28)9-16)18-11-23(30)25(24(31)12-18)27(32,33)34;1-2-3-13-11-35-25(36-12-13)15-8-19(28)23(20(29)9-15)26(33,34)37-16-4-5-17(18(27)10-16)14-6-21(30)24(32)22(31)7-14;1-2-3-13-11-35-25(36-12-13)14-4-5-17(18(27)6-14)26(33,34)37-16-9-19(28)23(20(29)10-16)15-7-21(30)24(32)22(31)8-15;1-2-12-10-34-24(35-11-12)14-7-18(27)22(19(28)8-14)25(32,33)36-15-3-4-16(17(26)9-15)13-5-20(29)23(31)21(30)6-13/h6-12,15,27H,2-5,13-14H2,1H3;6-13,16,27H,2-5,14-15H2,1H3;2*5-11,14,26H,2-4,12-13H2,1H3;5-12,15,26H,2-4,13-14H2,1H3;2*4-10,13,25H,2-3,11-12H2,1H3;3-9,12,24H,2,10-11H2,1H3
InChIKeyRNPHVARMVBMBOL-UHFFFAOYSA-N
XLogP65.12
TPSA203.06 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds58
Heavy Atoms298
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004275.60
LogP ≤ 565.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane?
The IUPAC name of 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane (CID 160676556) is 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane is CCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCC1COC(c2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCC1COC(c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCC1COC(c2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2ccc(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.
What is the InChIKey of 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane?
The InChIKey is RNPHVARMVBMBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F8O3.C28H25F7O2.2C27H22F8O3.C27H23F7O2.2C26H20F8O3.C25H18F8O3/c1-2-3-4-5-15-13-37-27(38-14-15)16-6-7-19(20(29)8-16)28(35,36)39-18-11-21(30)25(22(31)12-18)17-9-23(32)26(34)24(33)10-17;1-2-3-4-5-16-14-36-27(37-15-16)18-7-9-20(23(30)11-18)17-6-8-21(22(29)10-17)19-12-24(31)26(25(32)13-19)28(33,34)35;1-2-3-4-14-12-36-26(37-13-14)16-9-20(29)24(21(30)10-16)27(34,35)38-17-5-6-18(19(28)11-17)15-7-22(31)25(33)23(32)8-15;1-2-3-4-14-12-36-26(37-13-14)15-5-6-18(19(28)7-15)27(34,35)38-17-10-20(29)24(21(30)11-17)16-8-22(31)25(33)23(32)9-16;1-2-3-4-15-13-35-26(36-14-15)17-6-8-19(22(29)10-17)16-5-7-20(21(28)9-16)18-11-23(30)25(24(31)12-18)27(32,33)34;1-2-3-13-11-35-25(36-12-13)15-8-19(28)23(20(29)9-15)26(33,34)37-16-4-5-17(18(27)10-16)14-6-21(30)24(32)22(31)7-14;1-2-3-13-11-35-25(36-12-13)14-4-5-17(18(27)6-14)26(33,34)37-16-9-19(28)23(20(29)10-16)15-7-21(30)24(32)22(31)8-15;1-2-12-10-34-24(35-11-12)14-7-18(27)22(19(28)8-14)25(32,33)36-15-3-4-16(17(26)9-15)13-5-20(29)23(31)21(30)6-13/h6-12,15,27H,2-5,13-14H2,1H3;6-13,16,27H,2-5,14-15H2,1H3;2*5-11,14,26H,2-4,12-13H2,1H3;5-12,15,26H,2-4,13-14H2,1H3;2*4-10,13,25H,2-3,11-12H2,1H3;3-9,12,24H,2,10-11H2,1H3.
What are the key properties of 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane?
5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane has a molecular weight of 4275.60 g/mol, XLogP of 65.12, 58 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-butyl-2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-1,3-dioxane;5-butyl-2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-ethyl-1,3-dioxane;2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 160676556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).