2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane

C235H268F30O24 — CID 161200746

IUPAC2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane
SMILESC/C=C/c1ccc(-c2ccc(C3CCC(COCC)CO3)cc2F)c(F)c1F.C=CCCCOc1ccc(-c2ccc(C3CCC(CCC)CO3)cc2F)c(F)c1F.C=CCCCOc1ccc(-c2ccc(C3CCC(OCCC)CO3)cc2F)c(F)c1F.C=CCOc1ccc(-c2ccc(C3CCC(COCC)CO3)cc2F)c(F)c1F.C=Cc1ccc(-c2ccc(C3CCC(CCOCC)CO3)cc2F)c(F)c1F.C=Cc1ccc(-c2ccc(C3CCC(OCCCC)CO3)cc2F)c(F)c1F.CCCCOc1ccc(-c2ccc(C3CCC(CCOC)CO3)cc2F)c(F)c1F.CCCOCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2)OC1.CCCc1ccc(-c2ccc(C3CCC(CCOCC)CO3)cc2F)c(F)c1F.CCCc1ccc(-c2ccc(C3CCC(COC)CO3)cc2F)c(F)c1F
InChIInChI=1S/C25H29F3O3.C25H29F3O2.C24H29F3O3.C24H29F3O2.C23H27F3O3.C23H25F3O3.3C23H25F3O2.C22H25F3O2/c1-3-5-6-14-30-23-12-10-20(24(27)25(23)28)19-9-7-17(15-21(19)26)22-11-8-18(16-31-22)29-13-4-2;1-3-5-6-14-29-23-13-11-20(24(27)25(23)28)19-10-9-18(15-21(19)26)22-12-8-17(7-4-2)16-30-22;1-3-4-12-29-22-10-8-19(23(26)24(22)27)18-7-6-17(14-20(18)25)21-9-5-16(15-30-21)11-13-28-2;1-3-5-17-7-10-20(24(27)23(17)26)19-9-8-18(14-21(19)25)22-11-6-16(15-29-22)12-13-28-4-2;1-3-11-27-13-15-5-9-20(29-14-15)16-6-7-17(19(24)12-16)18-8-10-21(28-4-2)23(26)22(18)25;1-3-11-28-21-10-8-18(22(25)23(21)26)17-7-6-16(12-19(17)24)20-9-5-15(14-29-20)13-27-4-2;1-3-16-6-9-19(23(26)22(16)25)18-8-7-17(13-20(18)24)21-10-5-15(14-28-21)11-12-27-4-2;1-3-5-16-7-10-19(23(26)22(16)25)18-9-8-17(12-20(18)24)21-11-6-15(14-28-21)13-27-4-2;1-3-5-12-27-17-8-11-21(28-14-17)16-7-9-18(20(24)13-16)19-10-6-15(4-2)22(25)23(19)26;1-3-4-15-6-9-18(22(25)21(15)24)17-8-7-16(11-19(17)23)20-10-5-14(12-26-2)13-27-20/h3,7,9-10,12,15,18,22H,1,4-6,8,11,13-14,16H2,2H3;3,9-11,13,15,17,22H,1,4-8,12,14,16H2,2H3;6-8,10,14,16,21H,3-5,9,11-13,15H2,1-2H3;7-10,14,16,22H,3-6,11-13,15H2,1-2H3;6-8,10,12,15,20H,3-5,9,11,13-14H2,1-2H3;3,6-8,10,12,15,20H,1,4-5,9,11,13-14H2,2H3;3,6-9,13,15,21H,1,4-5,10-12,14H2,2H3;3,5,7-10,12,15,21H,4,6,11,13-14H2,1-2H3;4,6-7,9-10,13,17,21H,2-3,5,8,11-12,14H2,1H3;6-9,11,14,20H,3-5,10,12-13H2,1-2H3/b;;;;;;;5-3+;;
InChIKeyUUYFSJCEKJABEE-DSFVRNEXSA-N
MW4046.64 g/mol
LogP64.03
Rot. Bonds78

About 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane

2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane (PubChem CID 161200746) has the molecular formula C235H268F30O24 and a molecular weight of 4046.64 g/mol. Its IUPAC name is 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane.

Molecular Properties

Compound Name2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane
PubChem CID161200746
Molecular FormulaC235H268F30O24
Molecular Weight4046.64 g/mol
Exact Mass4043.93
IUPAC Name2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane
SMILESC/C=C/c1ccc(-c2ccc(C3CCC(COCC)CO3)cc2F)c(F)c1F.C=CCCCOc1ccc(-c2ccc(C3CCC(CCC)CO3)cc2F)c(F)c1F.C=CCCCOc1ccc(-c2ccc(C3CCC(OCCC)CO3)cc2F)c(F)c1F.C=CCOc1ccc(-c2ccc(C3CCC(COCC)CO3)cc2F)c(F)c1F.C=Cc1ccc(-c2ccc(C3CCC(CCOCC)CO3)cc2F)c(F)c1F.C=Cc1ccc(-c2ccc(C3CCC(OCCCC)CO3)cc2F)c(F)c1F.CCCCOc1ccc(-c2ccc(C3CCC(CCOC)CO3)cc2F)c(F)c1F.CCCOCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2)OC1.CCCc1ccc(-c2ccc(C3CCC(CCOCC)CO3)cc2F)c(F)c1F.CCCc1ccc(-c2ccc(C3CCC(COC)CO3)cc2F)c(F)c1F
InChIInChI=1S/C25H29F3O3.C25H29F3O2.C24H29F3O3.C24H29F3O2.C23H27F3O3.C23H25F3O3.3C23H25F3O2.C22H25F3O2/c1-3-5-6-14-30-23-12-10-20(24(27)25(23)28)19-9-7-17(15-21(19)26)22-11-8-18(16-31-22)29-13-4-2;1-3-5-6-14-29-23-13-11-20(24(27)25(23)28)19-10-9-18(15-21(19)26)22-12-8-17(7-4-2)16-30-22;1-3-4-12-29-22-10-8-19(23(26)24(22)27)18-7-6-17(14-20(18)25)21-9-5-16(15-30-21)11-13-28-2;1-3-5-17-7-10-20(24(27)23(17)26)19-9-8-18(14-21(19)25)22-11-6-16(15-29-22)12-13-28-4-2;1-3-11-27-13-15-5-9-20(29-14-15)16-6-7-17(19(24)12-16)18-8-10-21(28-4-2)23(26)22(18)25;1-3-11-28-21-10-8-18(22(25)23(21)26)17-7-6-16(12-19(17)24)20-9-5-15(14-29-20)13-27-4-2;1-3-16-6-9-19(23(26)22(16)25)18-8-7-17(13-20(18)24)21-10-5-15(14-28-21)11-12-27-4-2;1-3-5-16-7-10-19(23(26)22(16)25)18-9-8-17(12-20(18)24)21-11-6-15(14-28-21)13-27-4-2;1-3-5-12-27-17-8-11-21(28-14-17)16-7-9-18(20(24)13-16)19-10-6-15(4-2)22(25)23(19)26;1-3-4-15-6-9-18(22(25)21(15)24)17-8-7-16(11-19(17)23)20-10-5-14(12-26-2)13-27-20/h3,7,9-10,12,15,18,22H,1,4-6,8,11,13-14,16H2,2H3;3,9-11,13,15,17,22H,1,4-8,12,14,16H2,2H3;6-8,10,14,16,21H,3-5,9,11-13,15H2,1-2H3;7-10,14,16,22H,3-6,11-13,15H2,1-2H3;6-8,10,12,15,20H,3-5,9,11,13-14H2,1-2H3;3,6-8,10,12,15,20H,1,4-5,9,11,13-14H2,2H3;3,6-9,13,15,21H,1,4-5,10-12,14H2,2H3;3,5,7-10,12,15,21H,4,6,11,13-14H2,1-2H3;4,6-7,9-10,13,17,21H,2-3,5,8,11-12,14H2,1H3;6-9,11,14,20H,3-5,10,12-13H2,1-2H3/b;;;;;;;5-3+;;
InChIKeyUUYFSJCEKJABEE-DSFVRNEXSA-N
XLogP64.03
TPSA221.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds78
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004046.64
LogP ≤ 564.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane with MolForge

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Related Compounds

2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(2-methoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-pentyloxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane
CID 157176510
2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane
CID 126764826
2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-pentyloxane;2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-propoxyoxane;5-butyl-2-[4-(2,3-difluoro-4-methoxyphenyl)-3-fluorophenyl]oxane;5-butyl-2-[4-(2,3-difluoro-4-pentoxyphenyl)-3-fluorophenyl]oxane;5-butyl-2-[4-(2,3-difluoro-4-propoxyphenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pentylphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-pentyloxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-propoxyoxane
CID 157244412
5-butoxy-2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]oxane
CID 126764777
5-but-3-enyl-2-[4-[4-(2,3-difluoro-4-nonoxyphenyl)phenyl]-3-fluorophenyl]oxane
CID 67732396
2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-heptyloxane
CID 126764815
5-butoxy-2-[4-(2,3-difluoro-4-methoxyphenyl)-3-fluorophenyl]oxane
CID 126764785
5-but-3-enyl-2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-3-fluorophenyl]oxane
CID 67732420
2-[4-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-3-fluorophenyl]-5-pent-3-enyloxane
CID 77344041
2-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-3-fluorophenyl]-5-propyloxane
CID 67732127
2-[4-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-3-fluorophenyl]-5-pent-3-enyloxane
CID 77344047
5-butoxy-2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]oxane
CID 126764775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane?
The IUPAC name of 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane (CID 161200746) is 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane.
What is the SMILES notation for 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane?
The canonical SMILES for 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane is C/C=C/c1ccc(-c2ccc(C3CCC(COCC)CO3)cc2F)c(F)c1F.C=CCCCOc1ccc(-c2ccc(C3CCC(CCC)CO3)cc2F)c(F)c1F.C=CCCCOc1ccc(-c2ccc(C3CCC(OCCC)CO3)cc2F)c(F)c1F.C=CCOc1ccc(-c2ccc(C3CCC(COCC)CO3)cc2F)c(F)c1F.C=Cc1ccc(-c2ccc(C3CCC(CCOCC)CO3)cc2F)c(F)c1F.C=Cc1ccc(-c2ccc(C3CCC(OCCCC)CO3)cc2F)c(F)c1F.CCCCOc1ccc(-c2ccc(C3CCC(CCOC)CO3)cc2F)c(F)c1F.CCCOCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2)OC1.CCCc1ccc(-c2ccc(C3CCC(CCOCC)CO3)cc2F)c(F)c1F.CCCc1ccc(-c2ccc(C3CCC(COC)CO3)cc2F)c(F)c1F.
What is the InChIKey of 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane?
The InChIKey is UUYFSJCEKJABEE-DSFVRNEXSA-N. The full InChI is InChI=1S/C25H29F3O3.C25H29F3O2.C24H29F3O3.C24H29F3O2.C23H27F3O3.C23H25F3O3.3C23H25F3O2.C22H25F3O2/c1-3-5-6-14-30-23-12-10-20(24(27)25(23)28)19-9-7-17(15-21(19)26)22-11-8-18(16-31-22)29-13-4-2;1-3-5-6-14-29-23-13-11-20(24(27)25(23)28)19-10-9-18(15-21(19)26)22-12-8-17(7-4-2)16-30-22;1-3-4-12-29-22-10-8-19(23(26)24(22)27)18-7-6-17(14-20(18)25)21-9-5-16(15-30-21)11-13-28-2;1-3-5-17-7-10-20(24(27)23(17)26)19-9-8-18(14-21(19)25)22-11-6-16(15-29-22)12-13-28-4-2;1-3-11-27-13-15-5-9-20(29-14-15)16-6-7-17(19(24)12-16)18-8-10-21(28-4-2)23(26)22(18)25;1-3-11-28-21-10-8-18(22(25)23(21)26)17-7-6-16(12-19(17)24)20-9-5-15(14-29-20)13-27-4-2;1-3-16-6-9-19(23(26)22(16)25)18-8-7-17(13-20(18)24)21-10-5-15(14-28-21)11-12-27-4-2;1-3-5-16-7-10-19(23(26)22(16)25)18-9-8-17(12-20(18)24)21-11-6-15(14-28-21)13-27-4-2;1-3-5-12-27-17-8-11-21(28-14-17)16-7-9-18(20(24)13-16)19-10-6-15(4-2)22(25)23(19)26;1-3-4-15-6-9-18(22(25)21(15)24)17-8-7-16(11-19(17)23)20-10-5-14(12-26-2)13-27-20/h3,7,9-10,12,15,18,22H,1,4-6,8,11,13-14,16H2,2H3;3,9-11,13,15,17,22H,1,4-8,12,14,16H2,2H3;6-8,10,14,16,21H,3-5,9,11-13,15H2,1-2H3;7-10,14,16,22H,3-6,11-13,15H2,1-2H3;6-8,10,12,15,20H,3-5,9,11,13-14H2,1-2H3;3,6-8,10,12,15,20H,1,4-5,9,11,13-14H2,2H3;3,6-9,13,15,21H,1,4-5,10-12,14H2,2H3;3,5,7-10,12,15,21H,4,6,11,13-14H2,1-2H3;4,6-7,9-10,13,17,21H,2-3,5,8,11-12,14H2,1H3;6-9,11,14,20H,3-5,10,12-13H2,1-2H3/b;;;;;;;5-3+;;.
What are the key properties of 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane?
2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane has a molecular weight of 4046.64 g/mol, XLogP of 64.03, 78 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-methoxyethyl)oxane;5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]oxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propoxyoxane;2-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)-3-fluorophenyl]-5-propyloxane;2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-[2,3-difluoro-4-[(E)-prop-1-enyl]phenyl]-3-fluorophenyl]-5-(ethoxymethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-5-(methoxymethyl)oxane;2-[4-(4-ethenyl-2,3-difluorophenyl)-3-fluorophenyl]-5-(2-ethoxyethyl)oxane;2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-(propoxymethyl)oxane is sourced from PubChem (CID 161200746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).