2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane

C223H292F40O26 — CID 158584284

IUPAC2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane
SMILESCC1CCC(CCC2COC(c3cc(F)c(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(OC(F)C(F)(F)C(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)(F)F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)C(F)(F)C(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)C(F)(F)C(F)(F)F)cc3)OC2)CC1
InChIInChI=1S/C22H26F8O3.C22H27F7O3.C22H28F6O3.C21H26F4O2.C21H27F3O2.C20H27F3O3.C19H25F3O2.2C19H26F2O2.2C19H27FO2/c1-12-2-4-13(5-3-12)6-7-14-10-31-19(32-11-14)15-8-16(23)18(17(24)9-15)33-20(25)21(26,27)22(28,29)30;1-13-2-4-14(5-3-13)6-7-15-11-30-19(31-12-15)16-8-9-18(17(23)10-16)32-20(24)21(25,26)22(27,28)29;1-14-2-4-15(5-3-14)6-7-16-12-29-19(30-13-16)17-8-10-18(11-9-17)31-20(23)21(24,25)22(26,27)28;1-13-2-4-14(5-3-13)6-7-15-11-26-21(27-12-15)16-8-18(22)17(10-20(24)25)19(23)9-16;1-14-2-4-15(5-3-14)6-7-16-12-25-21(26-13-16)18-9-8-17(11-20(23)24)19(22)10-18;1-14-2-4-15(5-3-14)6-7-16-12-24-19(25-13-16)17-8-10-18(11-9-17)26-20(21,22)23;1-12-2-4-13(5-3-12)6-7-14-10-23-19(24-11-14)15-8-16(20)18(22)17(21)9-15;2*1-13-2-4-14(5-3-13)6-7-15-11-22-19(23-12-15)16-8-9-17(20)18(21)10-16;2*1-14-2-4-15(5-3-14)6-7-16-12-21-19(22-13-16)17-8-10-18(20)11-9-17/h8-9,12-14,19-20H,2-7,10-11H2,1H3;8-10,13-15,19-20H,2-7,11-12H2,1H3;8-11,14-16,19-20H,2-7,12-13H2,1H3;8-10,13-15,21H,2-7,11-12H2,1H3;8-11,14-16,21H,2-7,12-13H2,1H3;8-11,14-16,19H,2-7,12-13H2,1H3;8-9,12-14,19H,2-7,10-11H2,1H3;2*8-10,13-15,19H,2-7,11-12H2,1H3;2*8-11,14-16,19H,2-7,12-13H2,1H3
InChIKeyHTQAFPDJZSJPKY-UHFFFAOYSA-N
MW4148.68 g/mol
LogP65.58
Rot. Bonds56

About 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane

2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane (PubChem CID 158584284) has the molecular formula C223H292F40O26 and a molecular weight of 4148.68 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane
PubChem CID158584284
Molecular FormulaC223H292F40O26
Molecular Weight4148.68 g/mol
Exact Mass4146.09
IUPAC Name2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane
SMILESCC1CCC(CCC2COC(c3cc(F)c(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(OC(F)C(F)(F)C(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)(F)F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)C(F)(F)C(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)C(F)(F)C(F)(F)F)cc3)OC2)CC1
InChIInChI=1S/C22H26F8O3.C22H27F7O3.C22H28F6O3.C21H26F4O2.C21H27F3O2.C20H27F3O3.C19H25F3O2.2C19H26F2O2.2C19H27FO2/c1-12-2-4-13(5-3-12)6-7-14-10-31-19(32-11-14)15-8-16(23)18(17(24)9-15)33-20(25)21(26,27)22(28,29)30;1-13-2-4-14(5-3-13)6-7-15-11-30-19(31-12-15)16-8-9-18(17(23)10-16)32-20(24)21(25,26)22(27,28)29;1-14-2-4-15(5-3-14)6-7-16-12-29-19(30-13-16)17-8-10-18(11-9-17)31-20(23)21(24,25)22(26,27)28;1-13-2-4-14(5-3-13)6-7-15-11-26-21(27-12-15)16-8-18(22)17(10-20(24)25)19(23)9-16;1-14-2-4-15(5-3-14)6-7-16-12-25-21(26-13-16)18-9-8-17(11-20(23)24)19(22)10-18;1-14-2-4-15(5-3-14)6-7-16-12-24-19(25-13-16)17-8-10-18(11-9-17)26-20(21,22)23;1-12-2-4-13(5-3-12)6-7-14-10-23-19(24-11-14)15-8-16(20)18(22)17(21)9-15;2*1-13-2-4-14(5-3-13)6-7-15-11-22-19(23-12-15)16-8-9-17(20)18(21)10-16;2*1-14-2-4-15(5-3-14)6-7-16-12-21-19(22-13-16)17-8-10-18(20)11-9-17/h8-9,12-14,19-20H,2-7,10-11H2,1H3;8-10,13-15,19-20H,2-7,11-12H2,1H3;8-11,14-16,19-20H,2-7,12-13H2,1H3;8-10,13-15,21H,2-7,11-12H2,1H3;8-11,14-16,21H,2-7,12-13H2,1H3;8-11,14-16,19H,2-7,12-13H2,1H3;8-9,12-14,19H,2-7,10-11H2,1H3;2*8-10,13-15,19H,2-7,11-12H2,1H3;2*8-11,14-16,19H,2-7,12-13H2,1H3
InChIKeyHTQAFPDJZSJPKY-UHFFFAOYSA-N
XLogP65.58
TPSA239.98 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds56
Heavy Atoms289
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004148.68
LogP ≤ 565.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane?
The IUPAC name of 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane (CID 158584284) is 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane.
What is the SMILES notation for 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane?
The canonical SMILES for 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane is CC1CCC(CCC2COC(c3cc(F)c(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(OC(F)C(F)(F)C(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)(F)F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)C(F)(F)C(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)C(F)(F)C(F)(F)F)cc3)OC2)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane?
The InChIKey is HTQAFPDJZSJPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F8O3.C22H27F7O3.C22H28F6O3.C21H26F4O2.C21H27F3O2.C20H27F3O3.C19H25F3O2.2C19H26F2O2.2C19H27FO2/c1-12-2-4-13(5-3-12)6-7-14-10-31-19(32-11-14)15-8-16(23)18(17(24)9-15)33-20(25)21(26,27)22(28,29)30;1-13-2-4-14(5-3-13)6-7-15-11-30-19(31-12-15)16-8-9-18(17(23)10-16)32-20(24)21(25,26)22(27,28)29;1-14-2-4-15(5-3-14)6-7-16-12-29-19(30-13-16)17-8-10-18(11-9-17)31-20(23)21(24,25)22(26,27)28;1-13-2-4-14(5-3-13)6-7-15-11-26-21(27-12-15)16-8-18(22)17(10-20(24)25)19(23)9-16;1-14-2-4-15(5-3-14)6-7-16-12-25-21(26-13-16)18-9-8-17(11-20(23)24)19(22)10-18;1-14-2-4-15(5-3-14)6-7-16-12-24-19(25-13-16)17-8-10-18(11-9-17)26-20(21,22)23;1-12-2-4-13(5-3-12)6-7-14-10-23-19(24-11-14)15-8-16(20)18(22)17(21)9-15;2*1-13-2-4-14(5-3-13)6-7-15-11-22-19(23-12-15)16-8-9-17(20)18(21)10-16;2*1-14-2-4-15(5-3-14)6-7-16-12-21-19(22-13-16)17-8-10-18(20)11-9-17/h8-9,12-14,19-20H,2-7,10-11H2,1H3;8-10,13-15,19-20H,2-7,11-12H2,1H3;8-11,14-16,19-20H,2-7,12-13H2,1H3;8-10,13-15,21H,2-7,11-12H2,1H3;8-11,14-16,21H,2-7,12-13H2,1H3;8-11,14-16,19H,2-7,12-13H2,1H3;8-9,12-14,19H,2-7,10-11H2,1H3;2*8-10,13-15,19H,2-7,11-12H2,1H3;2*8-11,14-16,19H,2-7,12-13H2,1H3.
What are the key properties of 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane?
2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane has a molecular weight of 4148.68 g/mol, XLogP of 65.58, 56 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane is sourced from PubChem (CID 158584284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).