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

C239H288F30O22 — CID 159656350

IUPAC5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane
SMILESCCCCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3)c(F)c2F)OC1.CCCCCOC1CCC(c2ccc(-c3ccc(C)c(F)c3)c(F)c2F)OC1.CCCCCOC1CCC(c2ccc(-c3ccc(CCC)c(F)c3)c(F)c2F)OC1.CCCCCc1ccc(-c2ccc(C3CCC(OCCCC)CO3)c(F)c2F)cc1F.CCCCOC1CCC(c2ccc(-c3ccc(C)c(F)c3)c(F)c2F)OC1.CCCCOC1CCC(c2ccc(-c3ccc(CCC)c(F)c3)c(F)c2F)OC1.CCCCOC1CCC(c2ccc(-c3ccc(OCC)c(F)c3)c(F)c2F)OC1.CCCCOc1ccc(-c2ccc(C3CCC(OCCCC)CO3)c(F)c2F)cc1F.CCCCc1ccc(-c2ccc(C3CCC(OCCC)CO3)c(F)c2F)cc1F.CCCOC1CCC(c2ccc(-c3ccc(CC)c(F)c3)c(F)c2F)OC1
InChIInChI=1S/C26H33F3O2.C25H31F3O3.2C25H31F3O2.2C24H29F3O2.C23H27F3O3.C23H27F3O2.2C22H25F3O2/c1-3-5-7-8-18-9-10-19(16-23(18)27)21-12-13-22(26(29)25(21)28)24-14-11-20(17-31-24)30-15-6-4-2;1-3-5-13-29-18-8-12-22(31-16-18)20-10-9-19(24(27)25(20)28)17-7-11-23(21(26)15-17)30-14-6-4-2;1-3-5-6-7-8-17-9-13-22(30-16-17)20-12-11-19(24(27)25(20)28)18-10-14-23(29-4-2)21(26)15-18;1-3-5-6-14-29-19-10-13-23(30-16-19)21-12-11-20(24(27)25(21)28)18-9-8-17(7-4-2)22(26)15-18;1-3-5-6-16-7-8-17(14-21(16)25)19-10-11-20(24(27)23(19)26)22-12-9-18(15-29-22)28-13-4-2;1-3-5-13-28-18-9-12-22(29-15-18)20-11-10-19(23(26)24(20)27)17-8-7-16(6-4-2)21(25)14-17;1-3-5-12-28-16-7-11-20(29-14-16)18-9-8-17(22(25)23(18)26)15-6-10-21(27-4-2)19(24)13-15;1-3-4-5-12-27-17-8-11-21(28-14-17)19-10-9-18(22(25)23(19)26)16-7-6-15(2)20(24)13-16;1-3-4-11-26-16-7-10-20(27-13-16)18-9-8-17(21(24)22(18)25)15-6-5-14(2)19(23)12-15;1-3-11-26-16-7-10-20(27-13-16)18-9-8-17(21(24)22(18)25)15-6-5-14(4-2)19(23)12-15/h9-10,12-13,16,20,24H,3-8,11,14-15,17H2,1-2H3;7,9-11,15,18,22H,3-6,8,12-14,16H2,1-2H3;10-12,14-15,17,22H,3-9,13,16H2,1-2H3;8-9,11-12,15,19,23H,3-7,10,13-14,16H2,1-2H3;2*7-8,10-11,14,18,22H,3-6,9,12-13,15H2,1-2H3;6,8-10,13,16,20H,3-5,7,11-12,14H2,1-2H3;6-7,9-10,13,17,21H,3-5,8,11-12,14H2,1-2H3;2*5-6,8-9,12,16,20H,3-4,7,10-11,13H2,1-2H3
InChIKeyMSFOWVZBGXSJHC-UHFFFAOYSA-N
MW4082.85 g/mol
LogP67.61
Rot. Bonds81

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

5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane (PubChem CID 159656350) has the molecular formula C239H288F30O22 and a molecular weight of 4082.85 g/mol. Its IUPAC name is 5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane.

Molecular Properties

Compound Name5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane
PubChem CID159656350
Molecular FormulaC239H288F30O22
Molecular Weight4082.85 g/mol
Exact Mass4080.09
IUPAC Name5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane
SMILESCCCCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3)c(F)c2F)OC1.CCCCCOC1CCC(c2ccc(-c3ccc(C)c(F)c3)c(F)c2F)OC1.CCCCCOC1CCC(c2ccc(-c3ccc(CCC)c(F)c3)c(F)c2F)OC1.CCCCCc1ccc(-c2ccc(C3CCC(OCCCC)CO3)c(F)c2F)cc1F.CCCCOC1CCC(c2ccc(-c3ccc(C)c(F)c3)c(F)c2F)OC1.CCCCOC1CCC(c2ccc(-c3ccc(CCC)c(F)c3)c(F)c2F)OC1.CCCCOC1CCC(c2ccc(-c3ccc(OCC)c(F)c3)c(F)c2F)OC1.CCCCOc1ccc(-c2ccc(C3CCC(OCCCC)CO3)c(F)c2F)cc1F.CCCCc1ccc(-c2ccc(C3CCC(OCCC)CO3)c(F)c2F)cc1F.CCCOC1CCC(c2ccc(-c3ccc(CC)c(F)c3)c(F)c2F)OC1
InChIInChI=1S/C26H33F3O2.C25H31F3O3.2C25H31F3O2.2C24H29F3O2.C23H27F3O3.C23H27F3O2.2C22H25F3O2/c1-3-5-7-8-18-9-10-19(16-23(18)27)21-12-13-22(26(29)25(21)28)24-14-11-20(17-31-24)30-15-6-4-2;1-3-5-13-29-18-8-12-22(31-16-18)20-10-9-19(24(27)25(20)28)17-7-11-23(21(26)15-17)30-14-6-4-2;1-3-5-6-7-8-17-9-13-22(30-16-17)20-12-11-19(24(27)25(20)28)18-10-14-23(29-4-2)21(26)15-18;1-3-5-6-14-29-19-10-13-23(30-16-19)21-12-11-20(24(27)25(21)28)18-9-8-17(7-4-2)22(26)15-18;1-3-5-6-16-7-8-17(14-21(16)25)19-10-11-20(24(27)23(19)26)22-12-9-18(15-29-22)28-13-4-2;1-3-5-13-28-18-9-12-22(29-15-18)20-11-10-19(23(26)24(20)27)17-8-7-16(6-4-2)21(25)14-17;1-3-5-12-28-16-7-11-20(29-14-16)18-9-8-17(22(25)23(18)26)15-6-10-21(27-4-2)19(24)13-15;1-3-4-5-12-27-17-8-11-21(28-14-17)19-10-9-18(22(25)23(19)26)16-7-6-15(2)20(24)13-16;1-3-4-11-26-16-7-10-20(27-13-16)18-9-8-17(21(24)22(18)25)15-6-5-14(2)19(23)12-15;1-3-11-26-16-7-10-20(27-13-16)18-9-8-17(21(24)22(18)25)15-6-5-14(4-2)19(23)12-15/h9-10,12-13,16,20,24H,3-8,11,14-15,17H2,1-2H3;7,9-11,15,18,22H,3-6,8,12-14,16H2,1-2H3;10-12,14-15,17,22H,3-9,13,16H2,1-2H3;8-9,11-12,15,19,23H,3-7,10,13-14,16H2,1-2H3;2*7-8,10-11,14,18,22H,3-6,9,12-13,15H2,1-2H3;6,8-10,13,16,20H,3-5,7,11-12,14H2,1-2H3;6-7,9-10,13,17,21H,3-5,8,11-12,14H2,1-2H3;2*5-6,8-9,12,16,20H,3-4,7,10-11,13H2,1-2H3
InChIKeyMSFOWVZBGXSJHC-UHFFFAOYSA-N
XLogP67.61
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 ≤ 567.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane?
The IUPAC name of 5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane (CID 159656350) is 5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane.
What is the SMILES notation for 5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane?
The canonical SMILES for 5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane is CCCCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3)c(F)c2F)OC1.CCCCCOC1CCC(c2ccc(-c3ccc(C)c(F)c3)c(F)c2F)OC1.CCCCCOC1CCC(c2ccc(-c3ccc(CCC)c(F)c3)c(F)c2F)OC1.CCCCCc1ccc(-c2ccc(C3CCC(OCCCC)CO3)c(F)c2F)cc1F.CCCCOC1CCC(c2ccc(-c3ccc(C)c(F)c3)c(F)c2F)OC1.CCCCOC1CCC(c2ccc(-c3ccc(CCC)c(F)c3)c(F)c2F)OC1.CCCCOC1CCC(c2ccc(-c3ccc(OCC)c(F)c3)c(F)c2F)OC1.CCCCOc1ccc(-c2ccc(C3CCC(OCCCC)CO3)c(F)c2F)cc1F.CCCCc1ccc(-c2ccc(C3CCC(OCCC)CO3)c(F)c2F)cc1F.CCCOC1CCC(c2ccc(-c3ccc(CC)c(F)c3)c(F)c2F)OC1.
What is the InChIKey of 5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane?
The InChIKey is MSFOWVZBGXSJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3O2.C25H31F3O3.2C25H31F3O2.2C24H29F3O2.C23H27F3O3.C23H27F3O2.2C22H25F3O2/c1-3-5-7-8-18-9-10-19(16-23(18)27)21-12-13-22(26(29)25(21)28)24-14-11-20(17-31-24)30-15-6-4-2;1-3-5-13-29-18-8-12-22(31-16-18)20-10-9-19(24(27)25(20)28)17-7-11-23(21(26)15-17)30-14-6-4-2;1-3-5-6-7-8-17-9-13-22(30-16-17)20-12-11-19(24(27)25(20)28)18-10-14-23(29-4-2)21(26)15-18;1-3-5-6-14-29-19-10-13-23(30-16-19)21-12-11-20(24(27)25(21)28)18-9-8-17(7-4-2)22(26)15-18;1-3-5-6-16-7-8-17(14-21(16)25)19-10-11-20(24(27)23(19)26)22-12-9-18(15-29-22)28-13-4-2;1-3-5-13-28-18-9-12-22(29-15-18)20-11-10-19(23(26)24(20)27)17-8-7-16(6-4-2)21(25)14-17;1-3-5-12-28-16-7-11-20(29-14-16)18-9-8-17(22(25)23(18)26)15-6-10-21(27-4-2)19(24)13-15;1-3-4-5-12-27-17-8-11-21(28-14-17)19-10-9-18(22(25)23(19)26)16-7-6-15(2)20(24)13-16;1-3-4-11-26-16-7-10-20(27-13-16)18-9-8-17(21(24)22(18)25)15-6-5-14(2)19(23)12-15;1-3-11-26-16-7-10-20(27-13-16)18-9-8-17(21(24)22(18)25)15-6-5-14(4-2)19(23)12-15/h9-10,12-13,16,20,24H,3-8,11,14-15,17H2,1-2H3;7,9-11,15,18,22H,3-6,8,12-14,16H2,1-2H3;10-12,14-15,17,22H,3-9,13,16H2,1-2H3;8-9,11-12,15,19,23H,3-7,10,13-14,16H2,1-2H3;2*7-8,10-11,14,18,22H,3-6,9,12-13,15H2,1-2H3;6,8-10,13,16,20H,3-5,7,11-12,14H2,1-2H3;6-7,9-10,13,17,21H,3-5,8,11-12,14H2,1-2H3;2*5-6,8-9,12,16,20H,3-4,7,10-11,13H2,1-2H3.
What are the key properties of 5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane?
5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane has a molecular weight of 4082.85 g/mol, XLogP of 67.61, 81 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-pentylphenyl)phenyl]oxane;5-butoxy-2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]oxane;5-butoxy-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane;2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentoxyoxane;2-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-5-pentoxyoxane;2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-hexyloxane;2-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane is sourced from PubChem (CID 159656350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).