2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene)

C226H231F56N3O21 — CID 158041160

IUPAC2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene)
SMILESCC1CCC(C2CCC(c3ccc(OCF)cc3)CC2)CC1.CCCC12COC(c3ccc(-c4cc(F)c(OCF)c(F)c4)c(F)c3)(OC1)OC2.CCCC1CCC(c2ccc(-c3cc(F)c(OCF)c(F)c3)c(F)c2)OC1.CCCC1CCC(c2ccc(-c3ccc(OCF)cc3)cc2)OC1.CCCC1COC(c2ccc(-c3cc(F)c(OCF)c(F)c3)c(F)c2)OC1.CCCC1COC(c2ccc(-c3cc(F)c(OCF)c(F)c3)cc2)OC1.CCCc1ccc(-c2ccc(-c3ccc(OCF)cc3)cc2)nc1.CCCc1ccc(C2CCC(c3ccc(OCF)c(F)c3)CC2)cc1.CCCc1ccc(C2COC(c3cc(F)c(OCF)c(F)c3)OC2)cc1.CCCc1cnc(-c2ccc(-c3ccc(OCF)c(F)c3)c(F)c2)nc1.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F
InChIInChI=1S/C22H26F2O.C21H20F4O4.C21H22F4O2.C21H20FNO.C21H25FO2.C20H20F4O3.C20H17F3N2O.2C20H21F3O3.C20H29FO.10C2HF3/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22(25-15-23)21(24)14-20;1-2-5-20-9-27-21(28-10-20,29-11-20)14-3-4-15(16(23)8-14)13-6-17(24)19(26-12-22)18(25)7-13;1-2-3-13-4-7-20(26-11-13)14-5-6-16(17(23)8-14)15-9-18(24)21(27-12-22)19(25)10-15;2*1-2-3-16-4-13-21(23-14-16)19-7-5-17(6-8-19)18-9-11-20(12-10-18)24-15-22;1-2-3-12-9-25-20(26-10-12)13-4-5-15(16(22)6-13)14-7-17(23)19(27-11-21)18(24)8-14;1-2-3-13-10-24-20(25-11-13)15-4-6-16(17(22)9-15)14-5-7-19(26-12-21)18(23)8-14;1-2-3-13-10-24-20(25-11-13)15-6-4-14(5-7-15)16-8-17(22)19(26-12-21)18(23)9-16;1-2-3-13-4-6-14(7-5-13)16-10-24-20(25-11-16)15-8-17(22)19(26-12-21)18(23)9-15;1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-14-21;10*3-1-2(4)5/h4-7,12-14,18-19H,2-3,8-11,15H2,1H3;3-4,6-8H,2,5,9-12H2,1H3;5-6,8-10,13,20H,2-4,7,11-12H2,1H3;4-14H,2-3,15H2,1H3;5-12,16,21H,2-4,13-15H2,1H3;4-8,12,20H,2-3,9-11H2,1H3;4-11H,2-3,12H2,1H3;4-9,13,20H,2-3,10-12H2,1H3;4-9,16,20H,2-3,10-12H2,1H3;10-13,15-18H,2-9,14H2,1H3;10*1H
InChIKeyFIJFEKZHTLPGFV-UHFFFAOYSA-N
MW4389.22 g/mol
LogP73.89
Rot. Bonds58

About 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene)

2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene) (PubChem CID 158041160) has the molecular formula C226H231F56N3O21 and a molecular weight of 4389.22 g/mol. Its IUPAC name is 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene).

Molecular Properties

Compound Name2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene)
PubChem CID158041160
Molecular FormulaC226H231F56N3O21
Molecular Weight4389.22 g/mol
Exact Mass4386.62
IUPAC Name2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene)
SMILESCC1CCC(C2CCC(c3ccc(OCF)cc3)CC2)CC1.CCCC12COC(c3ccc(-c4cc(F)c(OCF)c(F)c4)c(F)c3)(OC1)OC2.CCCC1CCC(c2ccc(-c3cc(F)c(OCF)c(F)c3)c(F)c2)OC1.CCCC1CCC(c2ccc(-c3ccc(OCF)cc3)cc2)OC1.CCCC1COC(c2ccc(-c3cc(F)c(OCF)c(F)c3)c(F)c2)OC1.CCCC1COC(c2ccc(-c3cc(F)c(OCF)c(F)c3)cc2)OC1.CCCc1ccc(-c2ccc(-c3ccc(OCF)cc3)cc2)nc1.CCCc1ccc(C2CCC(c3ccc(OCF)c(F)c3)CC2)cc1.CCCc1ccc(C2COC(c3cc(F)c(OCF)c(F)c3)OC2)cc1.CCCc1cnc(-c2ccc(-c3ccc(OCF)c(F)c3)c(F)c2)nc1.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F
InChIInChI=1S/C22H26F2O.C21H20F4O4.C21H22F4O2.C21H20FNO.C21H25FO2.C20H20F4O3.C20H17F3N2O.2C20H21F3O3.C20H29FO.10C2HF3/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22(25-15-23)21(24)14-20;1-2-5-20-9-27-21(28-10-20,29-11-20)14-3-4-15(16(23)8-14)13-6-17(24)19(26-12-22)18(25)7-13;1-2-3-13-4-7-20(26-11-13)14-5-6-16(17(23)8-14)15-9-18(24)21(27-12-22)19(25)10-15;2*1-2-3-16-4-13-21(23-14-16)19-7-5-17(6-8-19)18-9-11-20(12-10-18)24-15-22;1-2-3-12-9-25-20(26-10-12)13-4-5-15(16(22)6-13)14-7-17(23)19(27-11-21)18(24)8-14;1-2-3-13-10-24-20(25-11-13)15-4-6-16(17(22)9-15)14-5-7-19(26-12-21)18(23)8-14;1-2-3-13-10-24-20(25-11-13)15-6-4-14(5-7-15)16-8-17(22)19(26-12-21)18(23)9-16;1-2-3-13-4-6-14(7-5-13)16-10-24-20(25-11-16)15-8-17(22)19(26-12-21)18(23)9-15;1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-14-21;10*3-1-2(4)5/h4-7,12-14,18-19H,2-3,8-11,15H2,1H3;3-4,6-8H,2,5,9-12H2,1H3;5-6,8-10,13,20H,2-4,7,11-12H2,1H3;4-14H,2-3,15H2,1H3;5-12,16,21H,2-4,13-15H2,1H3;4-8,12,20H,2-3,9-11H2,1H3;4-11H,2-3,12H2,1H3;4-9,13,20H,2-3,10-12H2,1H3;4-9,16,20H,2-3,10-12H2,1H3;10-13,15-18H,2-9,14H2,1H3;10*1H
InChIKeyFIJFEKZHTLPGFV-UHFFFAOYSA-N
XLogP73.89
TPSA232.50 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds58
Heavy Atoms306
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004389.22
LogP ≤ 573.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene)?
The IUPAC name of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene) (CID 158041160) is 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene).
What is the SMILES notation for 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene)?
The canonical SMILES for 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene) is CC1CCC(C2CCC(c3ccc(OCF)cc3)CC2)CC1.CCCC12COC(c3ccc(-c4cc(F)c(OCF)c(F)c4)c(F)c3)(OC1)OC2.CCCC1CCC(c2ccc(-c3cc(F)c(OCF)c(F)c3)c(F)c2)OC1.CCCC1CCC(c2ccc(-c3ccc(OCF)cc3)cc2)OC1.CCCC1COC(c2ccc(-c3cc(F)c(OCF)c(F)c3)c(F)c2)OC1.CCCC1COC(c2ccc(-c3cc(F)c(OCF)c(F)c3)cc2)OC1.CCCc1ccc(-c2ccc(-c3ccc(OCF)cc3)cc2)nc1.CCCc1ccc(C2CCC(c3ccc(OCF)c(F)c3)CC2)cc1.CCCc1ccc(C2COC(c3cc(F)c(OCF)c(F)c3)OC2)cc1.CCCc1cnc(-c2ccc(-c3ccc(OCF)c(F)c3)c(F)c2)nc1.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.
What is the InChIKey of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene)?
The InChIKey is FIJFEKZHTLPGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2O.C21H20F4O4.C21H22F4O2.C21H20FNO.C21H25FO2.C20H20F4O3.C20H17F3N2O.2C20H21F3O3.C20H29FO.10C2HF3/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22(25-15-23)21(24)14-20;1-2-5-20-9-27-21(28-10-20,29-11-20)14-3-4-15(16(23)8-14)13-6-17(24)19(26-12-22)18(25)7-13;1-2-3-13-4-7-20(26-11-13)14-5-6-16(17(23)8-14)15-9-18(24)21(27-12-22)19(25)10-15;2*1-2-3-16-4-13-21(23-14-16)19-7-5-17(6-8-19)18-9-11-20(12-10-18)24-15-22;1-2-3-12-9-25-20(26-10-12)13-4-5-15(16(22)6-13)14-7-17(23)19(27-11-21)18(24)8-14;1-2-3-13-10-24-20(25-11-13)15-4-6-16(17(22)9-15)14-5-7-19(26-12-21)18(23)8-14;1-2-3-13-10-24-20(25-11-13)15-6-4-14(5-7-15)16-8-17(22)19(26-12-21)18(23)9-16;1-2-3-13-4-6-14(7-5-13)16-10-24-20(25-11-16)15-8-17(22)19(26-12-21)18(23)9-15;1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-14-21;10*3-1-2(4)5/h4-7,12-14,18-19H,2-3,8-11,15H2,1H3;3-4,6-8H,2,5,9-12H2,1H3;5-6,8-10,13,20H,2-4,7,11-12H2,1H3;4-14H,2-3,15H2,1H3;5-12,16,21H,2-4,13-15H2,1H3;4-8,12,20H,2-3,9-11H2,1H3;4-11H,2-3,12H2,1H3;4-9,13,20H,2-3,10-12H2,1H3;4-9,16,20H,2-3,10-12H2,1H3;10-13,15-18H,2-9,14H2,1H3;10*1H.
What are the key properties of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene)?
2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene) has a molecular weight of 4389.22 g/mol, XLogP of 73.89, 58 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-5-propyloxane;1-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane;2-[3,5-difluoro-4-(fluoromethoxy)phenyl]-5-(4-propylphenyl)-1,3-dioxane;2-[3-fluoro-4-[3-fluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyrimidine;2-fluoro-1-(fluoromethoxy)-4-[4-(4-propylphenyl)cyclohexyl]benzene;1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propyloxane;2-[4-[4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine;decakis(1,1,2-trifluoroethene) is sourced from PubChem (CID 158041160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).