2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane

C266H364F32O42 — CID 158617123

IUPAC2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane
SMILESCCCC1(F)COC(C(F)(F)Oc2ccc(-c3ccc(OCC)c(F)c3)c(F)c2)OC1.CCCC1(F)COC(OCC2CC=C(c3ccc(OCC)c(F)c3F)CC2)OC1.CCCC1(F)COC(OCC2CCC(c3ccc(CC)c(F)c3F)CC2)OC1.CCCC1(F)COC(OCc2ccc(-c3ccc(CC)c(F)c3F)cc2)OC1.CCCC1CC=C(c2ccc(OCC3OCC(F)(CCC)CO3)cc2)CC1.CCCC1CCC(c2ccc(COC3OCC(F)(CCC)CO3)cc2F)CC1.CCCC1CCC(c2ccc(COC3OCC(F)(CCC)CO3)cc2F)CO1.CCCC1CCC(c2ccc(OC(F)(F)C3OCC(F)(CCC)CO3)c(F)c2F)CC1.CCCC1CCC(c2ccc(OC(F)(F)C3OCC(F)(CCC)CO3)cc2)CC1.CCCC1CCC(c2ccc(OCC3OCC(F)(CCC)CO3)cc2)OC1.CCCC1CCC(c2ccc(OCC3OCC(F)(CCC)CO3)cc2F)CO1.CCc1ccc(C2CCC(COC3OCC(F)(CC)CO3)CO2)cc1F
InChIInChI=1S/C23H31F5O3.C23H33F3O3.C23H34F2O3.C23H33FO3.C22H23F5O4.C22H29F3O4.C22H31F3O3.C22H25F3O3.2C22H32F2O4.C22H33FO4.C20H28F2O4/c1-3-5-15-6-8-16(9-7-15)17-10-11-18(20(25)19(17)24)31-23(27,28)21-29-13-22(26,12-4-2)14-30-21;1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)29-23(25,26)21-27-15-22(24,14-4-2)16-28-21;1-3-5-17-6-9-19(10-7-17)20-11-8-18(13-21(20)24)14-26-22-27-15-23(25,12-4-2)16-28-22;1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25-15-22-26-16-23(24,14-4-2)17-27-22;1-3-9-21(25)12-29-20(30-13-21)22(26,27)31-15-6-7-16(17(23)11-15)14-5-8-19(28-4-2)18(24)10-14;1-3-11-22(25)13-28-21(29-14-22)27-12-15-5-7-16(8-6-15)17-9-10-18(26-4-2)20(24)19(17)23;2*1-3-11-22(25)13-27-21(28-14-22)26-12-15-5-7-17(8-6-15)18-10-9-16(4-2)19(23)20(18)24;1-3-5-18-8-7-17(13-25-18)19-9-6-16(11-20(19)23)12-26-21-27-14-22(24,10-4-2)15-28-21;1-3-5-17-7-6-16(12-25-17)19-9-8-18(11-20(19)23)26-13-21-27-14-22(24,10-4-2)15-28-21;1-3-5-17-6-11-20(25-13-17)18-7-9-19(10-8-18)24-14-21-26-15-22(23,12-4-2)16-27-21;1-3-15-6-7-16(9-17(15)21)18-8-5-14(10-23-18)11-24-19-25-12-20(22,4-2)13-26-19/h10-11,15-16,21H,3-9,12-14H2,1-2H3;10-13,17-18,21H,3-9,14-16H2,1-2H3;8,11,13,17,19,22H,3-7,9-10,12,14-16H2,1-2H3;8,10-13,18,22H,3-7,9,14-17H2,1-2H3;5-8,10-11,20H,3-4,9,12-13H2,1-2H3;7,9-10,15,21H,3-6,8,11-14H2,1-2H3;9-10,15,17,21H,3-8,11-14H2,1-2H3;5-10,21H,3-4,11-14H2,1-2H3;6,9,11,17-18,21H,3-5,7-8,10,12-15H2,1-2H3;8-9,11,16-17,21H,3-7,10,12-15H2,1-2H3;7-10,17,20-21H,3-6,11-16H2,1-2H3;6-7,9,14,18-19H,3-5,8,10-13H2,1-2H3
InChIKeyHXNJWDATKZVOGO-UHFFFAOYSA-N
MW4841.73 g/mol
LogP68.11
Rot. Bonds92

About 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane

2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane (PubChem CID 158617123) has the molecular formula C266H364F32O42 and a molecular weight of 4841.73 g/mol. Its IUPAC name is 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane
PubChem CID158617123
Molecular FormulaC266H364F32O42
Molecular Weight4841.73 g/mol
Exact Mass4838.58
IUPAC Name2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane
SMILESCCCC1(F)COC(C(F)(F)Oc2ccc(-c3ccc(OCC)c(F)c3)c(F)c2)OC1.CCCC1(F)COC(OCC2CC=C(c3ccc(OCC)c(F)c3F)CC2)OC1.CCCC1(F)COC(OCC2CCC(c3ccc(CC)c(F)c3F)CC2)OC1.CCCC1(F)COC(OCc2ccc(-c3ccc(CC)c(F)c3F)cc2)OC1.CCCC1CC=C(c2ccc(OCC3OCC(F)(CCC)CO3)cc2)CC1.CCCC1CCC(c2ccc(COC3OCC(F)(CCC)CO3)cc2F)CC1.CCCC1CCC(c2ccc(COC3OCC(F)(CCC)CO3)cc2F)CO1.CCCC1CCC(c2ccc(OC(F)(F)C3OCC(F)(CCC)CO3)c(F)c2F)CC1.CCCC1CCC(c2ccc(OC(F)(F)C3OCC(F)(CCC)CO3)cc2)CC1.CCCC1CCC(c2ccc(OCC3OCC(F)(CCC)CO3)cc2)OC1.CCCC1CCC(c2ccc(OCC3OCC(F)(CCC)CO3)cc2F)CO1.CCc1ccc(C2CCC(COC3OCC(F)(CC)CO3)CO2)cc1F
InChIInChI=1S/C23H31F5O3.C23H33F3O3.C23H34F2O3.C23H33FO3.C22H23F5O4.C22H29F3O4.C22H31F3O3.C22H25F3O3.2C22H32F2O4.C22H33FO4.C20H28F2O4/c1-3-5-15-6-8-16(9-7-15)17-10-11-18(20(25)19(17)24)31-23(27,28)21-29-13-22(26,12-4-2)14-30-21;1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)29-23(25,26)21-27-15-22(24,14-4-2)16-28-21;1-3-5-17-6-9-19(10-7-17)20-11-8-18(13-21(20)24)14-26-22-27-15-23(25,12-4-2)16-28-22;1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25-15-22-26-16-23(24,14-4-2)17-27-22;1-3-9-21(25)12-29-20(30-13-21)22(26,27)31-15-6-7-16(17(23)11-15)14-5-8-19(28-4-2)18(24)10-14;1-3-11-22(25)13-28-21(29-14-22)27-12-15-5-7-16(8-6-15)17-9-10-18(26-4-2)20(24)19(17)23;2*1-3-11-22(25)13-27-21(28-14-22)26-12-15-5-7-17(8-6-15)18-10-9-16(4-2)19(23)20(18)24;1-3-5-18-8-7-17(13-25-18)19-9-6-16(11-20(19)23)12-26-21-27-14-22(24,10-4-2)15-28-21;1-3-5-17-7-6-16(12-25-17)19-9-8-18(11-20(19)23)26-13-21-27-14-22(24,10-4-2)15-28-21;1-3-5-17-6-11-20(25-13-17)18-7-9-19(10-8-18)24-14-21-26-15-22(23,12-4-2)16-27-21;1-3-15-6-7-16(9-17(15)21)18-8-5-14(10-23-18)11-24-19-25-12-20(22,4-2)13-26-19/h10-11,15-16,21H,3-9,12-14H2,1-2H3;10-13,17-18,21H,3-9,14-16H2,1-2H3;8,11,13,17,19,22H,3-7,9-10,12,14-16H2,1-2H3;8,10-13,18,22H,3-7,9,14-17H2,1-2H3;5-8,10-11,20H,3-4,9,12-13H2,1-2H3;7,9-10,15,21H,3-6,8,11-14H2,1-2H3;9-10,15,17,21H,3-8,11-14H2,1-2H3;5-10,21H,3-4,11-14H2,1-2H3;6,9,11,17-18,21H,3-5,7-8,10,12-15H2,1-2H3;8-9,11,16-17,21H,3-7,10,12-15H2,1-2H3;7-10,17,20-21H,3-6,11-16H2,1-2H3;6-7,9,14,18-19H,3-5,8,10-13H2,1-2H3
InChIKeyHXNJWDATKZVOGO-UHFFFAOYSA-N
XLogP68.11
TPSA387.66 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds92
Heavy Atoms340
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004841.73
LogP ≤ 568.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane?
The IUPAC name of 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane (CID 158617123) is 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane.
What is the SMILES notation for 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane?
The canonical SMILES for 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane is CCCC1(F)COC(C(F)(F)Oc2ccc(-c3ccc(OCC)c(F)c3)c(F)c2)OC1.CCCC1(F)COC(OCC2CC=C(c3ccc(OCC)c(F)c3F)CC2)OC1.CCCC1(F)COC(OCC2CCC(c3ccc(CC)c(F)c3F)CC2)OC1.CCCC1(F)COC(OCc2ccc(-c3ccc(CC)c(F)c3F)cc2)OC1.CCCC1CC=C(c2ccc(OCC3OCC(F)(CCC)CO3)cc2)CC1.CCCC1CCC(c2ccc(COC3OCC(F)(CCC)CO3)cc2F)CC1.CCCC1CCC(c2ccc(COC3OCC(F)(CCC)CO3)cc2F)CO1.CCCC1CCC(c2ccc(OC(F)(F)C3OCC(F)(CCC)CO3)c(F)c2F)CC1.CCCC1CCC(c2ccc(OC(F)(F)C3OCC(F)(CCC)CO3)cc2)CC1.CCCC1CCC(c2ccc(OCC3OCC(F)(CCC)CO3)cc2)OC1.CCCC1CCC(c2ccc(OCC3OCC(F)(CCC)CO3)cc2F)CO1.CCc1ccc(C2CCC(COC3OCC(F)(CC)CO3)CO2)cc1F.
What is the InChIKey of 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane?
The InChIKey is HXNJWDATKZVOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F5O3.C23H33F3O3.C23H34F2O3.C23H33FO3.C22H23F5O4.C22H29F3O4.C22H31F3O3.C22H25F3O3.2C22H32F2O4.C22H33FO4.C20H28F2O4/c1-3-5-15-6-8-16(9-7-15)17-10-11-18(20(25)19(17)24)31-23(27,28)21-29-13-22(26,12-4-2)14-30-21;1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)29-23(25,26)21-27-15-22(24,14-4-2)16-28-21;1-3-5-17-6-9-19(10-7-17)20-11-8-18(13-21(20)24)14-26-22-27-15-23(25,12-4-2)16-28-22;1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25-15-22-26-16-23(24,14-4-2)17-27-22;1-3-9-21(25)12-29-20(30-13-21)22(26,27)31-15-6-7-16(17(23)11-15)14-5-8-19(28-4-2)18(24)10-14;1-3-11-22(25)13-28-21(29-14-22)27-12-15-5-7-16(8-6-15)17-9-10-18(26-4-2)20(24)19(17)23;2*1-3-11-22(25)13-27-21(28-14-22)26-12-15-5-7-17(8-6-15)18-10-9-16(4-2)19(23)20(18)24;1-3-5-18-8-7-17(13-25-18)19-9-6-16(11-20(19)23)12-26-21-27-14-22(24,10-4-2)15-28-21;1-3-5-17-7-6-16(12-25-17)19-9-8-18(11-20(19)23)26-13-21-27-14-22(24,10-4-2)15-28-21;1-3-5-17-6-11-20(25-13-17)18-7-9-19(10-8-18)24-14-21-26-15-22(23,12-4-2)16-27-21;1-3-15-6-7-16(9-17(15)21)18-8-5-14(10-23-18)11-24-19-25-12-20(22,4-2)13-26-19/h10-11,15-16,21H,3-9,12-14H2,1-2H3;10-13,17-18,21H,3-9,14-16H2,1-2H3;8,11,13,17,19,22H,3-7,9-10,12,14-16H2,1-2H3;8,10-13,18,22H,3-7,9,14-17H2,1-2H3;5-8,10-11,20H,3-4,9,12-13H2,1-2H3;7,9-10,15,21H,3-6,8,11-14H2,1-2H3;9-10,15,17,21H,3-8,11-14H2,1-2H3;5-10,21H,3-4,11-14H2,1-2H3;6,9,11,17-18,21H,3-5,7-8,10,12-15H2,1-2H3;8-9,11,16-17,21H,3-7,10,12-15H2,1-2H3;7-10,17,20-21H,3-6,11-16H2,1-2H3;6-7,9,14,18-19H,3-5,8,10-13H2,1-2H3.
What are the key properties of 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane?
2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane has a molecular weight of 4841.73 g/mol, XLogP of 68.11, 92 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[difluoro-[4-(4-propylcyclohexyl)phenoxy]methyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethoxy-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;2-[[4-(4-ethyl-2,3-difluorophenyl)phenyl]methoxy]-5-fluoro-5-propyl-1,3-dioxane;5-ethyl-2-[[6-(4-ethyl-3-fluorophenyl)oxan-3-yl]methoxy]-5-fluoro-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenoxy]methyl]-5-propyl-1,3-dioxane;5-fluoro-2-[[3-fluoro-4-(6-propyloxan-3-yl)phenyl]methoxy]-5-propyl-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(4-propylcyclohexen-1-yl)phenoxy]methyl]-1,3-dioxane;5-fluoro-5-propyl-2-[[4-(5-propyloxan-2-yl)phenoxy]methyl]-1,3-dioxane is sourced from PubChem (CID 158617123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).