1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene)

C273H202ClF85N2O24 — CID 158007621

IUPAC1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene)
SMILESC/C=C/C1CCC(c2ccc(C(F)(F)Oc3ccc(-c4ccc(OCF)c(F)c4)cc3)c(F)c2)CC1.C/C=C/CCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)cc1.C=CC1CCC(c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(OCF)c(F)c4)cc3)cc2)CC1.CCCC1COC(c2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)OC1.CCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCc1ccc(-c2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCc1cnc(-c2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)nc1.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)cc1.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FCCC1CCC(c2ccc(C(F)(F)Oc3ccc(-c4ccc(OCF)c(F)c4)cc3)c(F)c2)CC1
InChIInChI=1S/C31H22F8O2.C29H18ClF7O3.C29H19F7O3.C29H27F5O2.C28H26F6O2.C28H25F5O2.C27H16F8O2.C27H18F6N2O3.C27H22F6O5.9C2HF3/c1-2-3-4-5-18-6-8-19(9-7-18)20-12-25(34)29(26(35)13-20)31(38,39)41-22-10-11-23(24(33)16-22)21-14-27(36)30(40-17-32)28(37)15-21;1-2-3-14-4-5-18(20(32)6-14)15-7-19(30)26(21(33)8-15)16-9-22(34)27(23(35)10-16)29(38)40-17-11-24(36)28(39-13-31)25(37)12-17;1-2-3-15-4-6-19(21(31)8-15)16-5-7-20(22(32)9-16)17-10-23(33)27(24(34)11-17)29(37)39-18-12-25(35)28(38-14-30)26(36)13-18;1-2-3-19-4-6-20(7-5-19)22-10-14-25(26(31)16-22)29(33,34)36-24-12-8-21(9-13-24)23-11-15-28(35-18-30)27(32)17-23;29-14-13-18-1-3-19(4-2-18)21-7-11-24(25(31)15-21)28(33,34)36-23-9-5-20(6-10-23)22-8-12-27(35-17-30)26(32)16-22;1-2-18-3-5-19(6-4-18)20-7-9-21(10-8-20)22-11-13-23(14-12-22)28(32,33)35-24-15-25(30)27(34-17-29)26(31)16-24;1-14-2-4-15(5-3-14)16-6-7-19(20(29)8-16)17-9-21(30)25(22(31)10-17)27(34,35)37-18-11-23(32)26(36-13-28)24(33)12-18;1-2-3-14-11-34-26(35-12-14)15-4-5-18(19(29)6-15)16-7-20(30)24(21(31)8-16)27(36)38-17-9-22(32)25(37-13-28)23(33)10-17;1-2-3-14-11-35-27(36-12-14)15-4-5-18(19(29)6-15)16-7-20(30)24(21(31)8-16)26(34)38-17-9-22(32)25(37-13-28)23(33)10-17;9*3-1-2(4)5/h2-3,6-16H,4-5,17H2,1H3;4-12H,2-3,13H2,1H3;4-13H,2-3,14H2,1H3;2-3,8-17,19-20H,4-7,18H2,1H3;5-12,15-16,18-19H,1-4,13-14,17H2;2,7-16,18-19H,1,3-6,17H2;2-12H,13H2,1H3;4-12H,2-3,13H2,1H3;4-10,14,27H,2-3,11-13H2,1H3;9*1H/b3-2+;;;3-2+;;;;;;;;;;;;;;
InChIKeyFEMHAUCXZZFRBT-WOOYDYKJSA-N
MW5544.89 g/mol
LogP90.84
Rot. Bonds74

About 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene)

1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene) (PubChem CID 158007621) has the molecular formula C273H202ClF85N2O24 and a molecular weight of 5544.89 g/mol. Its IUPAC name is 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene).

Molecular Properties

Compound Name1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene)
PubChem CID158007621
Molecular FormulaC273H202ClF85N2O24
Molecular Weight5544.89 g/mol
Exact Mass5541.30
IUPAC Name1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene)
SMILESC/C=C/C1CCC(c2ccc(C(F)(F)Oc3ccc(-c4ccc(OCF)c(F)c4)cc3)c(F)c2)CC1.C/C=C/CCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)cc1.C=CC1CCC(c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(OCF)c(F)c4)cc3)cc2)CC1.CCCC1COC(c2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)OC1.CCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCc1ccc(-c2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCc1cnc(-c2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)nc1.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)cc1.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FCCC1CCC(c2ccc(C(F)(F)Oc3ccc(-c4ccc(OCF)c(F)c4)cc3)c(F)c2)CC1
InChIInChI=1S/C31H22F8O2.C29H18ClF7O3.C29H19F7O3.C29H27F5O2.C28H26F6O2.C28H25F5O2.C27H16F8O2.C27H18F6N2O3.C27H22F6O5.9C2HF3/c1-2-3-4-5-18-6-8-19(9-7-18)20-12-25(34)29(26(35)13-20)31(38,39)41-22-10-11-23(24(33)16-22)21-14-27(36)30(40-17-32)28(37)15-21;1-2-3-14-4-5-18(20(32)6-14)15-7-19(30)26(21(33)8-15)16-9-22(34)27(23(35)10-16)29(38)40-17-11-24(36)28(39-13-31)25(37)12-17;1-2-3-15-4-6-19(21(31)8-15)16-5-7-20(22(32)9-16)17-10-23(33)27(24(34)11-17)29(37)39-18-12-25(35)28(38-14-30)26(36)13-18;1-2-3-19-4-6-20(7-5-19)22-10-14-25(26(31)16-22)29(33,34)36-24-12-8-21(9-13-24)23-11-15-28(35-18-30)27(32)17-23;29-14-13-18-1-3-19(4-2-18)21-7-11-24(25(31)15-21)28(33,34)36-23-9-5-20(6-10-23)22-8-12-27(35-17-30)26(32)16-22;1-2-18-3-5-19(6-4-18)20-7-9-21(10-8-20)22-11-13-23(14-12-22)28(32,33)35-24-15-25(30)27(34-17-29)26(31)16-24;1-14-2-4-15(5-3-14)16-6-7-19(20(29)8-16)17-9-21(30)25(22(31)10-17)27(34,35)37-18-11-23(32)26(36-13-28)24(33)12-18;1-2-3-14-11-34-26(35-12-14)15-4-5-18(19(29)6-15)16-7-20(30)24(21(31)8-16)27(36)38-17-9-22(32)25(37-13-28)23(33)10-17;1-2-3-14-11-35-27(36-12-14)15-4-5-18(19(29)6-15)16-7-20(30)24(21(31)8-16)26(34)38-17-9-22(32)25(37-13-28)23(33)10-17;9*3-1-2(4)5/h2-3,6-16H,4-5,17H2,1H3;4-12H,2-3,13H2,1H3;4-13H,2-3,14H2,1H3;2-3,8-17,19-20H,4-7,18H2,1H3;5-12,15-16,18-19H,1-4,13-14,17H2;2,7-16,18-19H,1,3-6,17H2;2-12H,13H2,1H3;4-12H,2-3,13H2,1H3;4-10,14,27H,2-3,11-13H2,1H3;9*1H/b3-2+;;;3-2+;;;;;;;;;;;;;;
InChIKeyFEMHAUCXZZFRBT-WOOYDYKJSA-N
XLogP90.84
TPSA278.66 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds74
Heavy Atoms385
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005544.89
LogP ≤ 590.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene)?
The IUPAC name of 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene) (CID 158007621) is 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene).
What is the SMILES notation for 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene)?
The canonical SMILES for 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene) is C/C=C/C1CCC(c2ccc(C(F)(F)Oc3ccc(-c4ccc(OCF)c(F)c4)cc3)c(F)c2)CC1.C/C=C/CCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)cc1.C=CC1CCC(c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(OCF)c(F)c4)cc3)cc2)CC1.CCCC1COC(c2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)OC1.CCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCc1ccc(-c2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCc1cnc(-c2ccc(-c3cc(F)c(C(=O)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)nc1.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)cc1.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FC=C(F)F.FCCC1CCC(c2ccc(C(F)(F)Oc3ccc(-c4ccc(OCF)c(F)c4)cc3)c(F)c2)CC1.
What is the InChIKey of 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene)?
The InChIKey is FEMHAUCXZZFRBT-WOOYDYKJSA-N. The full InChI is InChI=1S/C31H22F8O2.C29H18ClF7O3.C29H19F7O3.C29H27F5O2.C28H26F6O2.C28H25F5O2.C27H16F8O2.C27H18F6N2O3.C27H22F6O5.9C2HF3/c1-2-3-4-5-18-6-8-19(9-7-18)20-12-25(34)29(26(35)13-20)31(38,39)41-22-10-11-23(24(33)16-22)21-14-27(36)30(40-17-32)28(37)15-21;1-2-3-14-4-5-18(20(32)6-14)15-7-19(30)26(21(33)8-15)16-9-22(34)27(23(35)10-16)29(38)40-17-11-24(36)28(39-13-31)25(37)12-17;1-2-3-15-4-6-19(21(31)8-15)16-5-7-20(22(32)9-16)17-10-23(33)27(24(34)11-17)29(37)39-18-12-25(35)28(38-14-30)26(36)13-18;1-2-3-19-4-6-20(7-5-19)22-10-14-25(26(31)16-22)29(33,34)36-24-12-8-21(9-13-24)23-11-15-28(35-18-30)27(32)17-23;29-14-13-18-1-3-19(4-2-18)21-7-11-24(25(31)15-21)28(33,34)36-23-9-5-20(6-10-23)22-8-12-27(35-17-30)26(32)16-22;1-2-18-3-5-19(6-4-18)20-7-9-21(10-8-20)22-11-13-23(14-12-22)28(32,33)35-24-15-25(30)27(34-17-29)26(31)16-24;1-14-2-4-15(5-3-14)16-6-7-19(20(29)8-16)17-9-21(30)25(22(31)10-17)27(34,35)37-18-11-23(32)26(36-13-28)24(33)12-18;1-2-3-14-11-34-26(35-12-14)15-4-5-18(19(29)6-15)16-7-20(30)24(21(31)8-16)27(36)38-17-9-22(32)25(37-13-28)23(33)10-17;1-2-3-14-11-35-27(36-12-14)15-4-5-18(19(29)6-15)16-7-20(30)24(21(31)8-16)26(34)38-17-9-22(32)25(37-13-28)23(33)10-17;9*3-1-2(4)5/h2-3,6-16H,4-5,17H2,1H3;4-12H,2-3,13H2,1H3;4-13H,2-3,14H2,1H3;2-3,8-17,19-20H,4-7,18H2,1H3;5-12,15-16,18-19H,1-4,13-14,17H2;2,7-16,18-19H,1,3-6,17H2;2-12H,13H2,1H3;4-12H,2-3,13H2,1H3;4-10,14,27H,2-3,11-13H2,1H3;9*1H/b3-2+;;;3-2+;;;;;;;;;;;;;;.
What are the key properties of 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene)?
1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene) has a molecular weight of 5544.89 g/mol, XLogP of 90.84, 74 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-(2-fluoroethyl)cyclohexyl]benzene;1-[difluoro-[4-[3-fluoro-4-(fluoromethoxy)phenyl]phenoxy]methyl]-2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;[3,5-difluoro-4-(fluoromethoxy)phenyl] 4-[2-chloro-6-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2,6-difluorobenzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]benzoate;[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-[2-fluoro-4-(5-propylpyrimidin-2-yl)phenyl]benzoate;2-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene;5-[[4-[4-(4-ethenylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene;nonakis(1,1,2-trifluoroethene) is sourced from PubChem (CID 158007621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).