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

C185H241F33O24 — CID 158809230

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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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
SMILESCC1CCC(CCC2COC(c3cc(F)c(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(OC(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(OC(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(C=C(F)F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)C(F)(F)C(F)(F)F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)F)cc3)OC2)CC1
InChIInChI=1S/C22H28F6O3.C21H26F4O2.C21H27F3O2.C21H28F2O2.C20H25F5O3.2C20H26F4O3.C20H27F3O3.C20H28F2O3/c1-14-2-4-15(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;1-15-2-4-16(5-3-15)6-7-18-13-24-21(25-14-18)19-10-8-17(9-11-19)12-20(22)23;1-12-2-4-13(5-3-12)6-7-14-10-26-19(27-11-14)15-8-16(21)18(17(22)9-15)28-20(23,24)25;1-12-2-4-13(5-3-12)6-7-14-10-25-19(26-11-14)15-8-16(21)18(17(22)9-15)27-20(23)24;1-13-2-4-14(5-3-13)6-7-15-11-25-19(26-12-15)16-8-9-18(17(21)10-16)27-20(22,23)24;1-13-2-4-14(5-3-13)6-7-15-11-24-19(25-12-15)16-8-9-18(17(21)10-16)26-20(22)23;1-14-2-4-15(5-3-14)6-7-16-12-23-19(24-13-16)17-8-10-18(11-9-17)25-20(21)22/h8-11,14-16,19-20H,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;8-12,15-16,18,21H,2-7,13-14H2,1H3;8-9,12-14,19H,2-7,10-11H2,1H3;8-9,12-14,19-20H,2-7,10-11H2,1H3;8-10,13-15,19H,2-7,11-12H2,1H3;8-10,13-15,19-20H,2-7,11-12H2,1H3;8-11,14-16,19-20H,2-7,12-13H2,1H3
InChIKeyIULTYRUUIKBAMM-UHFFFAOYSA-N
MW3475.87 g/mol
LogP55.03
Rot. Bonds50

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

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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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 (PubChem CID 158809230) has the molecular formula C185H241F33O24 and a molecular weight of 3475.87 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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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.

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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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
PubChem CID158809230
Molecular FormulaC185H241F33O24
Molecular Weight3475.87 g/mol
Exact Mass3473.71
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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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
SMILESCC1CCC(CCC2COC(c3cc(F)c(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(OC(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(OC(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(C=C(F)F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)C(F)(F)C(F)(F)F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)F)cc3)OC2)CC1
InChIInChI=1S/C22H28F6O3.C21H26F4O2.C21H27F3O2.C21H28F2O2.C20H25F5O3.2C20H26F4O3.C20H27F3O3.C20H28F2O3/c1-14-2-4-15(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;1-15-2-4-16(5-3-15)6-7-18-13-24-21(25-14-18)19-10-8-17(9-11-19)12-20(22)23;1-12-2-4-13(5-3-12)6-7-14-10-26-19(27-11-14)15-8-16(21)18(17(22)9-15)28-20(23,24)25;1-12-2-4-13(5-3-12)6-7-14-10-25-19(26-11-14)15-8-16(21)18(17(22)9-15)27-20(23)24;1-13-2-4-14(5-3-13)6-7-15-11-25-19(26-12-15)16-8-9-18(17(21)10-16)27-20(22,23)24;1-13-2-4-14(5-3-13)6-7-15-11-24-19(25-12-15)16-8-9-18(17(21)10-16)26-20(22)23;1-14-2-4-15(5-3-14)6-7-16-12-23-19(24-13-16)17-8-10-18(11-9-17)25-20(21)22/h8-11,14-16,19-20H,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;8-12,15-16,18,21H,2-7,13-14H2,1H3;8-9,12-14,19H,2-7,10-11H2,1H3;8-9,12-14,19-20H,2-7,10-11H2,1H3;8-10,13-15,19H,2-7,11-12H2,1H3;8-10,13-15,19-20H,2-7,11-12H2,1H3;8-11,14-16,19-20H,2-7,12-13H2,1H3
InChIKeyIULTYRUUIKBAMM-UHFFFAOYSA-N
XLogP55.03
TPSA221.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds50
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003475.87
LogP ≤ 555.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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 with MolForge

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Launch Full Analysis

Related Compounds

2Dx3OdFB
CID 118634228
tFPO-CF2-3DxdFB
CID 118634231
tFPO-CF2-2DxdFB
CID 118634233
tFPO-CF2-2DxdFP
CID 118640023
tFBO-CF2-2DxdFP
CID 118640089
tFPO-CF2-5DxdFB
CID 146252263
(2R,3R,4S,5R,6S)-5-(4-cyclohexyloxyphenoxy)-2-[(4-cyclohexylphenoxy)methyl]-6-methoxy-3,4-bis(phenylmethoxy)oxane
CID 46889164
2-[2-[4-[3,5-Difluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-fluorophenyl]-1,1-difluoroethyl]-5-(4-pentylcyclohexyl)-1,3-dioxane
CID 18344125
2-[2-[4-[4-[3,5-Difluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-fluorophenyl]phenyl]-1,1-difluoroethyl]-5-propyl-1,3-dioxane
CID 18344128
2-[4-[4-[1,1-Difluoro-2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexyl]phenyl]-5-propyl-1,3-dioxane
CID 18344191
2-[4-[(2,3-Difluoro-4-methylphenyl)-difluoromethoxy]-2,3-difluorophenyl]-5-(2-fluoroethyl)-1,3-dioxane
CID 20576303
2-[4-[(2,3-Difluoro-4-methylphenyl)-difluoromethoxy]-2,3-difluorophenyl]-5-pentyl-1,3-dioxane
CID 20576305

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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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?
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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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 (CID 158809230) 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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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.
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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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?
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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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 is CC1CCC(CCC2COC(c3cc(F)c(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(OC(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3cc(F)c(OC(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(C=C(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(C=C(F)F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)C(F)(F)C(F)(F)F)cc3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(F)F)c(F)c3)OC2)CC1.CC1CCC(CCC2COC(c3ccc(OC(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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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?
The InChIKey is IULTYRUUIKBAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F6O3.C21H26F4O2.C21H27F3O2.C21H28F2O2.C20H25F5O3.2C20H26F4O3.C20H27F3O3.C20H28F2O3/c1-14-2-4-15(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;1-15-2-4-16(5-3-15)6-7-18-13-24-21(25-14-18)19-10-8-17(9-11-19)12-20(22)23;1-12-2-4-13(5-3-12)6-7-14-10-26-19(27-11-14)15-8-16(21)18(17(22)9-15)28-20(23,24)25;1-12-2-4-13(5-3-12)6-7-14-10-25-19(26-11-14)15-8-16(21)18(17(22)9-15)27-20(23)24;1-13-2-4-14(5-3-13)6-7-15-11-25-19(26-12-15)16-8-9-18(17(21)10-16)27-20(22,23)24;1-13-2-4-14(5-3-13)6-7-15-11-24-19(25-12-15)16-8-9-18(17(21)10-16)26-20(22)23;1-14-2-4-15(5-3-14)6-7-16-12-23-19(24-13-16)17-8-10-18(11-9-17)25-20(21)22/h8-11,14-16,19-20H,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;8-12,15-16,18,21H,2-7,13-14H2,1H3;8-9,12-14,19H,2-7,10-11H2,1H3;8-9,12-14,19-20H,2-7,10-11H2,1H3;8-10,13-15,19H,2-7,11-12H2,1H3;8-10,13-15,19-20H,2-7,11-12H2,1H3;8-11,14-16,19-20H,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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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?
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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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 has a molecular weight of 3475.87 g/mol, XLogP of 55.03, 50 rotatable bonds, 0 hydrogen bond donors, and 24 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-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-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 is sourced from PubChem (CID 158809230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).