About 1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 158936391) has the molecular formula C219H235F33O18
and a molecular weight of 3782.20 g/mol. Its IUPAC name is 1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene.
Frequently Asked Questions
What is the IUPAC name of 1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene (CID 158936391) is 1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene is C=CC(CCCCCOc1ccc(/C(F)=C(\F)c2ccc(C)c(F)c2F)cc1)CCCCCOc1ccc(/C(F)=C(\F)c2ccc(OCC)c(F)c2F)cc1.CCCC(CCCCCOc1ccc(-c2cc(F)c(F)c(F)c2)c(F)c1)CCCCCOc1ccc(CCc2ccc(OCC)c(F)c2F)c(F)c1F.CCCCOc1ccc(C#Cc2ccc(OCCCCCC(CC)CCCCCOc3ccc(C#Cc4ccc(C)c(F)c4F)c(F)c3)cc2F)c(F)c1F.CCOc1ccc(CCc2ccc(OCCCCCC(CCCCCOc3ccc(CCc4ccc(C)c(F)c4F)cc3)C(F)(F)F)cc2)c(F)c1F.CCOc1ccc(OC/C=C/c2ccc(OCCCCCC(=O)CCCCCOc3ccc(/C=C/COc4ccc(C)c(F)c4F)cc3)cc2)c(F)c1F.
What is the InChIKey of 1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is JJRVQBHNESBDRJ-RGDKKAKESA-N. The full InChI is InChI=1S/C46H48F6O3.C44H44F8O3.C44H48F4O6.C43H49F7O3.C42H46F8O3/c1-4-6-27-55-42-26-23-37(45(51)46(42)52)20-18-35-22-25-39(31-41(35)48)54-29-12-8-10-14-33(5-2)13-9-7-11-28-53-38-24-21-34(40(47)30-38)17-19-36-16-15-32(3)43(49)44(36)50;1-4-29(12-8-6-10-26-54-32-19-15-30(16-20-32)38(46)41(49)34-23-14-28(3)37(45)40(34)48)13-9-7-11-27-55-33-21-17-31(18-22-33)39(47)42(50)35-24-25-36(53-5-2)44(52)43(35)51;1-3-50-38-26-27-40(44(48)43(38)47)54-31-11-13-34-19-23-37(24-20-34)52-29-9-5-7-15-35(49)14-6-4-8-28-51-36-21-17-33(18-22-36)12-10-30-53-39-25-16-32(2)41(45)42(39)46;1-3-51-38-27-22-34(41(46)42(38)47)21-14-32-17-25-37(26-18-32)53-29-9-5-7-11-35(43(48,49)50)10-6-4-8-28-52-36-23-15-31(16-24-36)13-20-33-19-12-30(2)39(44)40(33)45;1-3-11-27(12-7-5-9-22-52-31-18-19-32(33(43)26-31)30-24-34(44)40(48)35(45)25-30)13-8-6-10-23-53-37-21-17-29(39(47)42(37)50)15-14-28-16-20-36(51-4-2)41(49)38(28)46/h15-16,21-26,30-31,33H,4-14,27-29H2,1-3H3;4,14-25,29H,1,5-13,26-27H2,2-3H3;10-13,16-27H,3-9,14-15,28-31H2,1-2H3;12,15-19,22-27,35H,3-11,13-14,20-21,28-29H2,1-2H3;16-21,24-27H,3-15,22-23H2,1-2H3/b;41-38+,42-39+;12-10+,13-11+;;.
What are the key properties of 1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene?
1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 3782.20 g/mol, XLogP of 62.48, 108 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethynyl]-3-fluorophenoxy]-6-ethylundecoxy]-2-fluorophenyl]ethynyl]-2,3-difluorobenzene;1-[2-[2,3-difluoro-4-[11-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]-6-propylundecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[4-[(E)-3-(2,3-difluoro-4-methylphenoxy)prop-1-enyl]phenoxy]-11-[4-[(E)-3-(4-ethoxy-2,3-difluorophenoxy)prop-1-enyl]phenoxy]undecan-6-one;1-[(E)-2-[4-[11-[4-[(E)-2-(2,3-difluoro-4-methylphenyl)-1,2-difluoroethenyl]phenoxy]-6-ethenylundecoxy]phenyl]-1,2-difluoroethenyl]-4-ethoxy-2,3-difluorobenzene;1-[2-[4-[11-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]phenoxy]-6-(trifluoromethyl)undecoxy]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 158936391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).