2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane

C228H250F30O20 — CID 158925628

IUPAC2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane
SMILESC/C=C/c1ccc(-c2ccc(C3CCC(OCC)OC3)c(F)c2F)c(F)c1.C=CC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)CO1.C=CC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1.C=CC1CCC(c2ccc(-c3ccc(OCCCC)cc3F)c(F)c2F)CO1.C=CCOc1ccc(-c2ccc(C3CCC(CCCC)OC3)c(F)c2F)c(F)c1.C=CCOc1ccc(-c2ccc(C3CCC(OCCCC)OC3)c(F)c2F)c(F)c1.C=Cc1ccc(-c2ccc(C3CCC(CCC)OC3)c(F)c2F)c(F)c1.C=Cc1ccc(-c2ccc(C3CCC(CCCC)OC3)c(F)c2F)c(F)c1.CCCCCCCC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)CO1.CCCCCOC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1
InChIInChI=1S/C25H31F3O2.C24H27F3O3.C24H29F3O3.C24H27F3O2.C23H25F3O2.C23H25F3O.C22H23F3O2.C22H23F3O.C21H21F3O2.C20H19F3O2/c1-3-4-5-6-7-8-18-10-9-17(16-30-18)20-13-14-22(25(28)24(20)27)21-12-11-19(29-2)15-23(21)26;1-3-5-13-29-22-11-6-16(15-30-22)18-9-10-20(24(27)23(18)26)19-8-7-17(14-21(19)25)28-12-4-2;1-3-5-6-13-29-22-12-7-16(15-30-22)18-10-11-20(24(27)23(18)26)19-9-8-17(28-4-2)14-21(19)25;1-3-5-6-17-8-7-16(15-29-17)19-11-12-21(24(27)23(19)26)20-10-9-18(14-22(20)25)28-13-4-2;1-3-5-12-27-17-8-9-19(21(24)13-17)20-11-10-18(22(25)23(20)26)15-6-7-16(4-2)28-14-15;1-3-5-6-17-9-8-16(14-27-17)18-11-12-20(23(26)22(18)25)19-10-7-15(4-2)13-21(19)24;1-3-5-14-6-8-17(19(23)12-14)18-10-9-16(21(24)22(18)25)15-7-11-20(26-4-2)27-13-15;1-3-5-16-8-7-15(13-26-16)17-10-11-19(22(25)21(17)24)18-9-6-14(4-2)12-20(18)23;1-3-14-6-5-13(12-26-14)16-9-10-18(21(24)20(16)23)17-8-7-15(25-4-2)11-19(17)22;1-3-13-5-4-12(11-25-13)15-8-9-17(20(23)19(15)22)16-7-6-14(24-2)10-18(16)21/h11-15,17-18H,3-10,16H2,1-2H3;4,7-10,14,16,22H,2-3,5-6,11-13,15H2,1H3;8-11,14,16,22H,3-7,12-13,15H2,1-2H3;4,9-12,14,16-17H,2-3,5-8,13,15H2,1H3;4,8-11,13,15-16H,2-3,5-7,12,14H2,1H3;4,7,10-13,16-17H,2-3,5-6,8-9,14H2,1H3;3,5-6,8-10,12,15,20H,4,7,11,13H2,1-2H3;4,6,9-12,15-16H,2-3,5,7-8,13H2,1H3;3,7-11,13-14H,1,4-6,12H2,2H3;3,6-10,12-13H,1,4-5,11H2,2H3/b;;;;;;5-3+;;;
InChIKeyJIKDUPDCTFWYQD-IPRLTJLSSA-N
MW3880.43 g/mol
LogP63.81
Rot. Bonds67

About 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane

2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane (PubChem CID 158925628) has the molecular formula C228H250F30O20 and a molecular weight of 3880.43 g/mol. Its IUPAC name is 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane.

Molecular Properties

Compound Name2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane
PubChem CID158925628
Molecular FormulaC228H250F30O20
Molecular Weight3880.43 g/mol
Exact Mass3877.81
IUPAC Name2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane
SMILESC/C=C/c1ccc(-c2ccc(C3CCC(OCC)OC3)c(F)c2F)c(F)c1.C=CC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)CO1.C=CC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1.C=CC1CCC(c2ccc(-c3ccc(OCCCC)cc3F)c(F)c2F)CO1.C=CCOc1ccc(-c2ccc(C3CCC(CCCC)OC3)c(F)c2F)c(F)c1.C=CCOc1ccc(-c2ccc(C3CCC(OCCCC)OC3)c(F)c2F)c(F)c1.C=Cc1ccc(-c2ccc(C3CCC(CCC)OC3)c(F)c2F)c(F)c1.C=Cc1ccc(-c2ccc(C3CCC(CCCC)OC3)c(F)c2F)c(F)c1.CCCCCCCC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)CO1.CCCCCOC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1
InChIInChI=1S/C25H31F3O2.C24H27F3O3.C24H29F3O3.C24H27F3O2.C23H25F3O2.C23H25F3O.C22H23F3O2.C22H23F3O.C21H21F3O2.C20H19F3O2/c1-3-4-5-6-7-8-18-10-9-17(16-30-18)20-13-14-22(25(28)24(20)27)21-12-11-19(29-2)15-23(21)26;1-3-5-13-29-22-11-6-16(15-30-22)18-9-10-20(24(27)23(18)26)19-8-7-17(14-21(19)25)28-12-4-2;1-3-5-6-13-29-22-12-7-16(15-30-22)18-10-11-20(24(27)23(18)26)19-9-8-17(28-4-2)14-21(19)25;1-3-5-6-17-8-7-16(15-29-17)19-11-12-21(24(27)23(19)26)20-10-9-18(14-22(20)25)28-13-4-2;1-3-5-12-27-17-8-9-19(21(24)13-17)20-11-10-18(22(25)23(20)26)15-6-7-16(4-2)28-14-15;1-3-5-6-17-9-8-16(14-27-17)18-11-12-20(23(26)22(18)25)19-10-7-15(4-2)13-21(19)24;1-3-5-14-6-8-17(19(23)12-14)18-10-9-16(21(24)22(18)25)15-7-11-20(26-4-2)27-13-15;1-3-5-16-8-7-15(13-26-16)17-10-11-19(22(25)21(17)24)18-9-6-14(4-2)12-20(18)23;1-3-14-6-5-13(12-26-14)16-9-10-18(21(24)20(16)23)17-8-7-15(25-4-2)11-19(17)22;1-3-13-5-4-12(11-25-13)15-8-9-17(20(23)19(15)22)16-7-6-14(24-2)10-18(16)21/h11-15,17-18H,3-10,16H2,1-2H3;4,7-10,14,16,22H,2-3,5-6,11-13,15H2,1H3;8-11,14,16,22H,3-7,12-13,15H2,1-2H3;4,9-12,14,16-17H,2-3,5-8,13,15H2,1H3;4,8-11,13,15-16H,2-3,5-7,12,14H2,1H3;4,7,10-13,16-17H,2-3,5-6,8-9,14H2,1H3;3,5-6,8-10,12,15,20H,4,7,11,13H2,1-2H3;4,6,9-12,15-16H,2-3,5,7-8,13H2,1H3;3,7-11,13-14H,1,4-6,12H2,2H3;3,6-10,12-13H,1,4-5,11H2,2H3/b;;;;;;5-3+;;;
InChIKeyJIKDUPDCTFWYQD-IPRLTJLSSA-N
XLogP63.81
TPSA184.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds67
Heavy Atoms278
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003880.43
LogP ≤ 563.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane?
The IUPAC name of 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane (CID 158925628) is 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane.
What is the SMILES notation for 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane?
The canonical SMILES for 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane is C/C=C/c1ccc(-c2ccc(C3CCC(OCC)OC3)c(F)c2F)c(F)c1.C=CC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)CO1.C=CC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1.C=CC1CCC(c2ccc(-c3ccc(OCCCC)cc3F)c(F)c2F)CO1.C=CCOc1ccc(-c2ccc(C3CCC(CCCC)OC3)c(F)c2F)c(F)c1.C=CCOc1ccc(-c2ccc(C3CCC(OCCCC)OC3)c(F)c2F)c(F)c1.C=Cc1ccc(-c2ccc(C3CCC(CCC)OC3)c(F)c2F)c(F)c1.C=Cc1ccc(-c2ccc(C3CCC(CCCC)OC3)c(F)c2F)c(F)c1.CCCCCCCC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)CO1.CCCCCOC1CCC(c2ccc(-c3ccc(OCC)cc3F)c(F)c2F)CO1.
What is the InChIKey of 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane?
The InChIKey is JIKDUPDCTFWYQD-IPRLTJLSSA-N. The full InChI is InChI=1S/C25H31F3O2.C24H27F3O3.C24H29F3O3.C24H27F3O2.C23H25F3O2.C23H25F3O.C22H23F3O2.C22H23F3O.C21H21F3O2.C20H19F3O2/c1-3-4-5-6-7-8-18-10-9-17(16-30-18)20-13-14-22(25(28)24(20)27)21-12-11-19(29-2)15-23(21)26;1-3-5-13-29-22-11-6-16(15-30-22)18-9-10-20(24(27)23(18)26)19-8-7-17(14-21(19)25)28-12-4-2;1-3-5-6-13-29-22-12-7-16(15-30-22)18-10-11-20(24(27)23(18)26)19-9-8-17(28-4-2)14-21(19)25;1-3-5-6-17-8-7-16(15-29-17)19-11-12-21(24(27)23(19)26)20-10-9-18(14-22(20)25)28-13-4-2;1-3-5-12-27-17-8-9-19(21(24)13-17)20-11-10-18(22(25)23(20)26)15-6-7-16(4-2)28-14-15;1-3-5-6-17-9-8-16(14-27-17)18-11-12-20(23(26)22(18)25)19-10-7-15(4-2)13-21(19)24;1-3-5-14-6-8-17(19(23)12-14)18-10-9-16(21(24)22(18)25)15-7-11-20(26-4-2)27-13-15;1-3-5-16-8-7-15(13-26-16)17-10-11-19(22(25)21(17)24)18-9-6-14(4-2)12-20(18)23;1-3-14-6-5-13(12-26-14)16-9-10-18(21(24)20(16)23)17-8-7-15(25-4-2)11-19(17)22;1-3-13-5-4-12(11-25-13)15-8-9-17(20(23)19(15)22)16-7-6-14(24-2)10-18(16)21/h11-15,17-18H,3-10,16H2,1-2H3;4,7-10,14,16,22H,2-3,5-6,11-13,15H2,1H3;8-11,14,16,22H,3-7,12-13,15H2,1-2H3;4,9-12,14,16-17H,2-3,5-8,13,15H2,1H3;4,8-11,13,15-16H,2-3,5-7,12,14H2,1H3;4,7,10-13,16-17H,2-3,5-6,8-9,14H2,1H3;3,5-6,8-10,12,15,20H,4,7,11,13H2,1-2H3;4,6,9-12,15-16H,2-3,5,7-8,13H2,1H3;3,7-11,13-14H,1,4-6,12H2,2H3;3,6-10,12-13H,1,4-5,11H2,2H3/b;;;;;;5-3+;;;.
What are the key properties of 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane?
2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane has a molecular weight of 3880.43 g/mol, XLogP of 63.81, 67 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane is sourced from PubChem (CID 158925628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).