About 1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane
1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane (PubChem CID 161335480) has the molecular formula C210H210F42O14
and a molecular weight of 3755.89 g/mol. Its IUPAC name is 1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane.
Frequently Asked Questions
What is the IUPAC name of 1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane?
The IUPAC name of 1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane (CID 161335480) is 1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane.
What is the SMILES notation for 1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane?
The canonical SMILES for 1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane is CCCC1CCCC(c2ccc(-c3ccc(C(F)(F)Oc4ccc(OCC)c(F)c4F)c(F)c3F)cc2)CC1.CCCCC1CCCC(c2ccc(-c3ccc(C(F)(F)Oc4ccc(OCC)c(F)c4F)c(F)c3F)cc2)CC1.CCCCCC1CCCC(c2ccc(-c3ccc(C(F)(F)Oc4ccc(OCC)c(F)c4F)c(F)c3F)cc2)CC1.CCOc1ccc(OC(F)(F)c2ccc(-c3ccc(C4CCCC(C)CC4)cc3)c(F)c2F)c(F)c1F.CCOc1ccc(OC(F)(F)c2ccc(-c3ccc(C4CCCC(CC)CC4)cc3)c(F)c2F)c(F)c1F.CCOc1ccc(OC(F)(F)c2ccc(-c3ccc(C4CCCCCC4)cc3)c(F)c2F)c(F)c1F.COc1ccc(OC(F)(F)c2ccc(-c3ccc(C4CCCCCC4)cc3)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane?
The InChIKey is VLZCLGZXHWANNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F6O2.C32H34F6O2.C31H32F6O2.C30H30F6O2.C29H28F6O2.C28H26F6O2.C27H24F6O2/c1-3-5-6-8-21-9-7-10-22(12-11-21)23-13-15-24(16-14-23)25-17-18-26(30(35)29(25)34)33(38,39)41-28-20-19-27(40-4-2)31(36)32(28)37;1-3-5-7-20-8-6-9-21(11-10-20)22-12-14-23(15-13-22)24-16-17-25(29(34)28(24)33)32(37,38)40-27-19-18-26(39-4-2)30(35)31(27)36;1-3-6-19-7-5-8-20(10-9-19)21-11-13-22(14-12-21)23-15-16-24(28(33)27(23)32)31(36,37)39-26-18-17-25(38-4-2)29(34)30(26)35;1-3-18-6-5-7-19(9-8-18)20-10-12-21(13-11-20)22-14-15-23(27(32)26(22)31)30(35,36)38-25-17-16-24(37-4-2)28(33)29(25)34;1-3-36-23-15-16-24(28(33)27(23)32)37-29(34,35)22-14-13-21(25(30)26(22)31)20-11-9-19(10-12-20)18-6-4-5-17(2)7-8-18;1-2-35-22-15-16-23(27(32)26(22)31)36-28(33,34)21-14-13-20(24(29)25(21)30)19-11-9-18(10-12-19)17-7-5-3-4-6-8-17;1-34-21-14-15-22(26(31)25(21)30)35-27(32,33)20-13-12-19(23(28)24(20)29)18-10-8-17(9-11-18)16-6-4-2-3-5-7-16/h13-22H,3-12H2,1-2H3;12-21H,3-11H2,1-2H3;11-20H,3-10H2,1-2H3;10-19H,3-9H2,1-2H3;9-18H,3-8H2,1-2H3;9-17H,2-8H2,1H3;8-16H,2-7H2,1H3.
What are the key properties of 1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane?
1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane has a molecular weight of 3755.89 g/mol, XLogP of 66.86, 58 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(2,3-difluoro-4-methoxyphenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]cycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-ethylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-methylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-pentylcycloheptane;1-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-4-propylcycloheptane is sourced from PubChem (CID 161335480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).