5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate

C194H220F44O18 — CID 158713280

IUPAC5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate
SMILESC/C=C\Cc1ccc(/C=C/C2CCC(CCC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCCCc1ccc(OC(=O)C2CCC(/C(F)=C(\F)C3CCC(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCCCCc1ccc(OCC2CCC(C#CC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCCOc1ccc(/C=C/C2CCC(COC3CCC(C(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(COC2CCC(C(=O)OC3CCC(C(F)(F)Oc4ccc(C(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCOc1ccc(C2CCC(CCC3CCC(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1
InChIInChI=1S/C34H36F10O4.C33H39F7O4.C33H38F6O2.C33H38F6O.C31H35F7O4.C30H34F8O3/c1-2-3-4-5-19-6-15-28(25(35)16-19)46-32(45)22-9-7-20(8-10-22)29(38)30(39)21-11-13-23(14-12-21)33(40,41)47-24-17-26(36)31(27(37)18-24)48-34(42,43)44;1-2-3-18-41-27-13-10-24(29(34)19-27)9-8-22-4-6-23(7-5-22)21-42-26-14-11-25(12-15-26)32(36,37)43-28-16-17-31(30(35)20-28)44-33(38,39)40;1-2-3-4-5-24-14-17-31(28(34)18-24)40-21-25-10-8-22(9-11-25)6-7-23-12-15-26(16-13-23)33(38,39)41-27-19-29(35)32(37)30(36)20-27;1-2-3-4-25-12-16-26(29(34)19-25)15-11-23-8-5-22(6-9-23)7-10-24-13-17-27(18-14-24)33(38,39)40-28-20-30(35)32(37)31(36)21-28;1-2-3-19-4-5-21(27(32)16-19)18-40-23-10-6-20(7-11-23)29(39)41-24-12-8-22(9-13-24)31(37,38)42-25-14-15-26(28(33)17-25)30(34,35)36;1-2-39-22-13-14-24(25(31)15-22)20-9-5-18(6-10-20)3-4-19-7-11-21(12-8-19)29(34,35)40-23-16-26(32)28(27(33)17-23)41-30(36,37)38/h6,15-18,20-23H,2-5,7-14H2,1H3;8-10,13,16-17,19-20,22-23,25-26H,2-7,11-12,14-15,18,21H2,1H3;14,17-20,22-23,25-26H,2-5,8-13,15-16,21H2,1H3;2-3,11-12,15-16,19-24,27H,4-10,13-14,17-18H2,1H3;4-5,14-17,20,22-24H,2-3,6-13,18H2,1H3;13-21H,2-12H2,1H3/b30-29+;9-8+;;3-2-,15-11+;;
InChIKeyIIZMZFMENXGYHY-QXQLUIEJSA-N
MW3675.79 g/mol
LogP59.99
Rot. Bonds65

About 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate

5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate (PubChem CID 158713280) has the molecular formula C194H220F44O18 and a molecular weight of 3675.79 g/mol. Its IUPAC name is 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate
PubChem CID158713280
Molecular FormulaC194H220F44O18
Molecular Weight3675.79 g/mol
Exact Mass3673.56
IUPAC Name5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate
SMILESC/C=C\Cc1ccc(/C=C/C2CCC(CCC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCCCc1ccc(OC(=O)C2CCC(/C(F)=C(\F)C3CCC(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCCCCc1ccc(OCC2CCC(C#CC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCCOc1ccc(/C=C/C2CCC(COC3CCC(C(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(COC2CCC(C(=O)OC3CCC(C(F)(F)Oc4ccc(C(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCOc1ccc(C2CCC(CCC3CCC(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1
InChIInChI=1S/C34H36F10O4.C33H39F7O4.C33H38F6O2.C33H38F6O.C31H35F7O4.C30H34F8O3/c1-2-3-4-5-19-6-15-28(25(35)16-19)46-32(45)22-9-7-20(8-10-22)29(38)30(39)21-11-13-23(14-12-21)33(40,41)47-24-17-26(36)31(27(37)18-24)48-34(42,43)44;1-2-3-18-41-27-13-10-24(29(34)19-27)9-8-22-4-6-23(7-5-22)21-42-26-14-11-25(12-15-26)32(36,37)43-28-16-17-31(30(35)20-28)44-33(38,39)40;1-2-3-4-5-24-14-17-31(28(34)18-24)40-21-25-10-8-22(9-11-25)6-7-23-12-15-26(16-13-23)33(38,39)41-27-19-29(35)32(37)30(36)20-27;1-2-3-4-25-12-16-26(29(34)19-25)15-11-23-8-5-22(6-9-23)7-10-24-13-17-27(18-14-24)33(38,39)40-28-20-30(35)32(37)31(36)21-28;1-2-3-19-4-5-21(27(32)16-19)18-40-23-10-6-20(7-11-23)29(39)41-24-12-8-22(9-13-24)31(37,38)42-25-14-15-26(28(33)17-25)30(34,35)36;1-2-39-22-13-14-24(25(31)15-22)20-9-5-18(6-10-20)3-4-19-7-11-21(12-8-19)29(34,35)40-23-16-26(32)28(27(33)17-23)41-30(36,37)38/h6,15-18,20-23H,2-5,7-14H2,1H3;8-10,13,16-17,19-20,22-23,25-26H,2-7,11-12,14-15,18,21H2,1H3;14,17-20,22-23,25-26H,2-5,8-13,15-16,21H2,1H3;2-3,11-12,15-16,19-24,27H,4-10,13-14,17-18H2,1H3;4-5,14-17,20,22-24H,2-3,6-13,18H2,1H3;13-21H,2-12H2,1H3/b30-29+;9-8+;;3-2-,15-11+;;
InChIKeyIIZMZFMENXGYHY-QXQLUIEJSA-N
XLogP59.99
TPSA181.82 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds65
Heavy Atoms256
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003675.79
LogP ≤ 559.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate?
The IUPAC name of 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate (CID 158713280) is 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate.
What is the SMILES notation for 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate?
The canonical SMILES for 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate is C/C=C\Cc1ccc(/C=C/C2CCC(CCC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCCCc1ccc(OC(=O)C2CCC(/C(F)=C(\F)C3CCC(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCCCCc1ccc(OCC2CCC(C#CC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCCOc1ccc(/C=C/C2CCC(COC3CCC(C(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(COC2CCC(C(=O)OC3CCC(C(F)(F)Oc4ccc(C(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCOc1ccc(C2CCC(CCC3CCC(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.
What is the InChIKey of 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate?
The InChIKey is IIZMZFMENXGYHY-QXQLUIEJSA-N. The full InChI is InChI=1S/C34H36F10O4.C33H39F7O4.C33H38F6O2.C33H38F6O.C31H35F7O4.C30H34F8O3/c1-2-3-4-5-19-6-15-28(25(35)16-19)46-32(45)22-9-7-20(8-10-22)29(38)30(39)21-11-13-23(14-12-21)33(40,41)47-24-17-26(36)31(27(37)18-24)48-34(42,43)44;1-2-3-18-41-27-13-10-24(29(34)19-27)9-8-22-4-6-23(7-5-22)21-42-26-14-11-25(12-15-26)32(36,37)43-28-16-17-31(30(35)20-28)44-33(38,39)40;1-2-3-4-5-24-14-17-31(28(34)18-24)40-21-25-10-8-22(9-11-25)6-7-23-12-15-26(16-13-23)33(38,39)41-27-19-29(35)32(37)30(36)20-27;1-2-3-4-25-12-16-26(29(34)19-25)15-11-23-8-5-22(6-9-23)7-10-24-13-17-27(18-14-24)33(38,39)40-28-20-30(35)32(37)31(36)21-28;1-2-3-19-4-5-21(27(32)16-19)18-40-23-10-6-20(7-11-23)29(39)41-24-12-8-22(9-13-24)31(37,38)42-25-14-15-26(28(33)17-25)30(34,35)36;1-2-39-22-13-14-24(25(31)15-22)20-9-5-18(6-10-20)3-4-19-7-11-21(12-8-19)29(34,35)40-23-16-26(32)28(27(33)17-23)41-30(36,37)38/h6,15-18,20-23H,2-5,7-14H2,1H3;8-10,13,16-17,19-20,22-23,25-26H,2-7,11-12,14-15,18,21H2,1H3;14,17-20,22-23,25-26H,2-5,8-13,15-16,21H2,1H3;2-3,11-12,15-16,19-24,27H,4-10,13-14,17-18H2,1H3;4-5,14-17,20,22-24H,2-3,6-13,18H2,1H3;13-21H,2-12H2,1H3/b30-29+;9-8+;;3-2-,15-11+;;.
What are the key properties of 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate?
5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate has a molecular weight of 3675.79 g/mol, XLogP of 59.99, 65 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[4-[(E)-2-[4-[(Z)-but-2-enyl]-2-fluorophenyl]ethenyl]cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;4-butoxy-1-[(E)-2-[4-[[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]oxymethyl]cyclohexyl]ethenyl]-2-fluorobenzene;5-[difluoro-[4-[2-[4-[(2-fluoro-4-pentylphenoxy)methyl]cyclohexyl]ethynyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;[4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexyl] 4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexane-1-carboxylate;5-[[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;(2-fluoro-4-pentylphenyl) 4-[(E)-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,2-difluoroethenyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 158713280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).