2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane

C239H288F30O22 — CID 159331679

IUPAC2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane
SMILESCCCCCCC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1.CCCCCOC1CCC(c2ccc(-c3ccc(C)cc3F)c(F)c2F)CO1.CCCCCOC1CCC(c2ccc(-c3ccc(CCC)cc3F)c(F)c2F)CO1.CCCCCc1ccc(-c2ccc(C3CCC(OCCCC)OC3)c(F)c2F)c(F)c1.CCCCOC1CCC(c2ccc(-c3ccc(C)cc3F)c(F)c2F)CO1.CCCCOC1CCC(c2ccc(-c3ccc(CCC)cc3F)c(F)c2F)CO1.CCCCOC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1.CCCCOc1ccc(-c2ccc(C3CCC(OCCCC)OC3)c(F)c2F)c(F)c1.CCCCc1ccc(-c2ccc(C3CCC(OCCC)OC3)c(F)c2F)c(F)c1.CCCOC1CCC(c2ccc(-c3ccc(CC)cc3F)c(F)c2F)CO1
InChIInChI=1S/C26H33F3O2.C25H31F3O3.2C25H31F3O2.2C24H29F3O2.C23H27F3O3.C23H27F3O2.2C22H25F3O2/c1-3-5-7-8-18-9-11-21(23(27)16-18)22-13-12-20(25(28)26(22)29)19-10-14-24(31-17-19)30-15-6-4-2;1-3-5-13-29-18-8-9-20(22(26)15-18)21-11-10-19(24(27)25(21)28)17-7-12-23(31-16-17)30-14-6-4-2;1-3-5-6-7-8-18-10-9-17(16-30-18)20-13-14-22(25(28)24(20)27)21-12-11-19(29-4-2)15-23(21)26;1-3-5-6-14-29-23-13-9-18(16-30-23)19-11-12-21(25(28)24(19)27)20-10-8-17(7-4-2)15-22(20)26;1-3-5-6-16-7-9-19(21(25)14-16)20-11-10-18(23(26)24(20)27)17-8-12-22(29-15-17)28-13-4-2;1-3-5-13-28-22-12-8-17(15-29-22)18-10-11-20(24(27)23(18)26)19-9-7-16(6-4-2)14-21(19)25;1-3-5-12-28-21-11-6-15(14-29-21)17-9-10-19(23(26)22(17)25)18-8-7-16(27-4-2)13-20(18)24;1-3-4-5-12-27-21-11-7-16(14-28-21)17-9-10-19(23(26)22(17)25)18-8-6-15(2)13-20(18)24;1-3-4-11-26-20-10-6-15(13-27-20)16-8-9-18(22(25)21(16)24)17-7-5-14(2)12-19(17)23;1-3-11-26-20-10-6-15(13-27-20)16-8-9-18(22(25)21(16)24)17-7-5-14(4-2)12-19(17)23/h9,11-13,16,19,24H,3-8,10,14-15,17H2,1-2H3;8-11,15,17,23H,3-7,12-14,16H2,1-2H3;11-15,17-18H,3-10,16H2,1-2H3;8,10-12,15,18,23H,3-7,9,13-14,16H2,1-2H3;2*7,9-11,14,17,22H,3-6,8,12-13,15H2,1-2H3;7-10,13,15,21H,3-6,11-12,14H2,1-2H3;6,8-10,13,16,21H,3-5,7,11-12,14H2,1-2H3;2*5,7-9,12,15,20H,3-4,6,10-11,13H2,1-2H3
InChIKeyLFAQQQRJIZKPRU-UHFFFAOYSA-N
MW4082.85 g/mol
LogP67.41
Rot. Bonds81

About 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane

2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane (PubChem CID 159331679) has the molecular formula C239H288F30O22 and a molecular weight of 4082.85 g/mol. Its IUPAC name is 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane.

Molecular Properties

Compound Name2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane
PubChem CID159331679
Molecular FormulaC239H288F30O22
Molecular Weight4082.85 g/mol
Exact Mass4080.09
IUPAC Name2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane
SMILESCCCCCCC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1.CCCCCOC1CCC(c2ccc(-c3ccc(C)cc3F)c(F)c2F)CO1.CCCCCOC1CCC(c2ccc(-c3ccc(CCC)cc3F)c(F)c2F)CO1.CCCCCc1ccc(-c2ccc(C3CCC(OCCCC)OC3)c(F)c2F)c(F)c1.CCCCOC1CCC(c2ccc(-c3ccc(C)cc3F)c(F)c2F)CO1.CCCCOC1CCC(c2ccc(-c3ccc(CCC)cc3F)c(F)c2F)CO1.CCCCOC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1.CCCCOc1ccc(-c2ccc(C3CCC(OCCCC)OC3)c(F)c2F)c(F)c1.CCCCc1ccc(-c2ccc(C3CCC(OCCC)OC3)c(F)c2F)c(F)c1.CCCOC1CCC(c2ccc(-c3ccc(CC)cc3F)c(F)c2F)CO1
InChIInChI=1S/C26H33F3O2.C25H31F3O3.2C25H31F3O2.2C24H29F3O2.C23H27F3O3.C23H27F3O2.2C22H25F3O2/c1-3-5-7-8-18-9-11-21(23(27)16-18)22-13-12-20(25(28)26(22)29)19-10-14-24(31-17-19)30-15-6-4-2;1-3-5-13-29-18-8-9-20(22(26)15-18)21-11-10-19(24(27)25(21)28)17-7-12-23(31-16-17)30-14-6-4-2;1-3-5-6-7-8-18-10-9-17(16-30-18)20-13-14-22(25(28)24(20)27)21-12-11-19(29-4-2)15-23(21)26;1-3-5-6-14-29-23-13-9-18(16-30-23)19-11-12-21(25(28)24(19)27)20-10-8-17(7-4-2)15-22(20)26;1-3-5-6-16-7-9-19(21(25)14-16)20-11-10-18(23(26)24(20)27)17-8-12-22(29-15-17)28-13-4-2;1-3-5-13-28-22-12-8-17(15-29-22)18-10-11-20(24(27)23(18)26)19-9-7-16(6-4-2)14-21(19)25;1-3-5-12-28-21-11-6-15(14-29-21)17-9-10-19(23(26)22(17)25)18-8-7-16(27-4-2)13-20(18)24;1-3-4-5-12-27-21-11-7-16(14-28-21)17-9-10-19(23(26)22(17)25)18-8-6-15(2)13-20(18)24;1-3-4-11-26-20-10-6-15(13-27-20)16-8-9-18(22(25)21(16)24)17-7-5-14(2)12-19(17)23;1-3-11-26-20-10-6-15(13-27-20)16-8-9-18(22(25)21(16)24)17-7-5-14(4-2)12-19(17)23/h9,11-13,16,19,24H,3-8,10,14-15,17H2,1-2H3;8-11,15,17,23H,3-7,12-14,16H2,1-2H3;11-15,17-18H,3-10,16H2,1-2H3;8,10-12,15,18,23H,3-7,9,13-14,16H2,1-2H3;2*7,9-11,14,17,22H,3-6,8,12-13,15H2,1-2H3;7-10,13,15,21H,3-6,11-12,14H2,1-2H3;6,8-10,13,16,21H,3-5,7,11-12,14H2,1-2H3;2*5,7-9,12,15,20H,3-4,6,10-11,13H2,1-2H3
InChIKeyLFAQQQRJIZKPRU-UHFFFAOYSA-N
XLogP67.41
TPSA203.06 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds81
Heavy Atoms291
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004082.85
LogP ≤ 567.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane?
The IUPAC name of 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane (CID 159331679) is 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane.
What is the SMILES notation for 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane?
The canonical SMILES for 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane is CCCCCCC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1.CCCCCOC1CCC(c2ccc(-c3ccc(C)cc3F)c(F)c2F)CO1.CCCCCOC1CCC(c2ccc(-c3ccc(CCC)cc3F)c(F)c2F)CO1.CCCCCc1ccc(-c2ccc(C3CCC(OCCCC)OC3)c(F)c2F)c(F)c1.CCCCOC1CCC(c2ccc(-c3ccc(C)cc3F)c(F)c2F)CO1.CCCCOC1CCC(c2ccc(-c3ccc(CCC)cc3F)c(F)c2F)CO1.CCCCOC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1.CCCCOc1ccc(-c2ccc(C3CCC(OCCCC)OC3)c(F)c2F)c(F)c1.CCCCc1ccc(-c2ccc(C3CCC(OCCC)OC3)c(F)c2F)c(F)c1.CCCOC1CCC(c2ccc(-c3ccc(CC)cc3F)c(F)c2F)CO1.
What is the InChIKey of 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane?
The InChIKey is LFAQQQRJIZKPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3O2.C25H31F3O3.2C25H31F3O2.2C24H29F3O2.C23H27F3O3.C23H27F3O2.2C22H25F3O2/c1-3-5-7-8-18-9-11-21(23(27)16-18)22-13-12-20(25(28)26(22)29)19-10-14-24(31-17-19)30-15-6-4-2;1-3-5-13-29-18-8-9-20(22(26)15-18)21-11-10-19(24(27)25(21)28)17-7-12-23(31-16-17)30-14-6-4-2;1-3-5-6-7-8-18-10-9-17(16-30-18)20-13-14-22(25(28)24(20)27)21-12-11-19(29-4-2)15-23(21)26;1-3-5-6-14-29-23-13-9-18(16-30-23)19-11-12-21(25(28)24(19)27)20-10-8-17(7-4-2)15-22(20)26;1-3-5-6-16-7-9-19(21(25)14-16)20-11-10-18(23(26)24(20)27)17-8-12-22(29-15-17)28-13-4-2;1-3-5-13-28-22-12-8-17(15-29-22)18-10-11-20(24(27)23(18)26)19-9-7-16(6-4-2)14-21(19)25;1-3-5-12-28-21-11-6-15(14-29-21)17-9-10-19(23(26)22(17)25)18-8-7-16(27-4-2)13-20(18)24;1-3-4-5-12-27-21-11-7-16(14-28-21)17-9-10-19(23(26)22(17)25)18-8-6-15(2)13-20(18)24;1-3-4-11-26-20-10-6-15(13-27-20)16-8-9-18(22(25)21(16)24)17-7-5-14(2)12-19(17)23;1-3-11-26-20-10-6-15(13-27-20)16-8-9-18(22(25)21(16)24)17-7-5-14(4-2)12-19(17)23/h9,11-13,16,19,24H,3-8,10,14-15,17H2,1-2H3;8-11,15,17,23H,3-7,12-14,16H2,1-2H3;11-15,17-18H,3-10,16H2,1-2H3;8,10-12,15,18,23H,3-7,9,13-14,16H2,1-2H3;2*7,9-11,14,17,22H,3-6,8,12-13,15H2,1-2H3;7-10,13,15,21H,3-6,11-12,14H2,1-2H3;6,8-10,13,16,21H,3-5,7,11-12,14H2,1-2H3;2*5,7-9,12,15,20H,3-4,6,10-11,13H2,1-2H3.
What are the key properties of 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane?
2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane has a molecular weight of 4082.85 g/mol, XLogP of 67.41, 81 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]oxane;2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]oxane;2-butoxy-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-2-pentoxyoxane;5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-pentoxyoxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane;5-[4-(4-ethyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane is sourced from PubChem (CID 159331679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).