5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene

C181H198F50O19 — CID 160580020

IUPAC5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
SMILESCCCCc1ccc(C(=O)OC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(C#CC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(COC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(OCC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCOCc1ccc(C2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)cc1.CCOc1ccc(C2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)cc1
InChIInChI=1S/C32H32F10O3.C31H34F10O3.C31H34F8O4.C30H34F8O3.C29H33F7O3.C28H31F7O3/c1-2-3-20-5-9-21(26(33)16-20)8-4-19-6-10-22(11-7-19)30(36,37)43-24-14-12-23(13-15-24)31(38,39)44-25-17-27(34)29(28(35)18-25)45-32(40,41)42;1-2-3-18-6-13-27(24(32)14-18)42-17-19-4-7-20(8-5-19)30(38,39)43-22-11-9-21(10-12-22)31(40,41)44-23-15-25(33)28(26(34)16-23)29(35,36)37;1-2-3-4-18-5-14-24(25(32)15-18)29(40)41-21-10-6-19(7-11-21)30(36,37)42-22-12-8-20(9-13-22)31(38,39)43-23-16-26(33)28(35)27(34)17-23;1-2-3-18-4-5-19(25(31)14-18)17-39-22-10-6-20(7-11-22)29(35,36)40-23-12-8-21(9-13-23)30(37,38)41-24-15-26(32)28(34)27(33)16-24;1-2-37-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)28(33,34)38-23-13-11-22(12-14-23)29(35,36)39-24-15-25(30)27(32)26(31)16-24;1-2-36-21-11-5-18(6-12-21)17-3-7-19(8-4-17)27(32,33)37-22-13-9-20(10-14-22)28(34,35)38-23-15-24(29)26(31)25(30)16-23/h5,9,16-19,22-24H,2-3,6-7,10-15H2,1H3;6,13-16,19-22H,2-5,7-12,17H2,1H3;5,14-17,19-22H,2-4,6-13H2,1H3;4-5,14-16,20-23H,2-3,6-13,17H2,1H3;3-6,15-16,20-23H,2,7-14,17H2,1H3;5-6,11-12,15-17,19-20,22H,2-4,7-10,13-14H2,1H3
InChIKeyRBQSJUJAZQRXBF-UHFFFAOYSA-N
MW3627.46 g/mol
LogP55.68
Rot. Bonds61

About 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene

5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene (PubChem CID 160580020) has the molecular formula C181H198F50O19 and a molecular weight of 3627.46 g/mol. Its IUPAC name is 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
PubChem CID160580020
Molecular FormulaC181H198F50O19
Molecular Weight3627.46 g/mol
Exact Mass3625.37
IUPAC Name5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
SMILESCCCCc1ccc(C(=O)OC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(C#CC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(COC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(OCC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCOCc1ccc(C2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)cc1.CCOc1ccc(C2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)cc1
InChIInChI=1S/C32H32F10O3.C31H34F10O3.C31H34F8O4.C30H34F8O3.C29H33F7O3.C28H31F7O3/c1-2-3-20-5-9-21(26(33)16-20)8-4-19-6-10-22(11-7-19)30(36,37)43-24-14-12-23(13-15-24)31(38,39)44-25-17-27(34)29(28(35)18-25)45-32(40,41)42;1-2-3-18-6-13-27(24(32)14-18)42-17-19-4-7-20(8-5-19)30(38,39)43-22-11-9-21(10-12-22)31(40,41)44-23-15-25(33)28(26(34)16-23)29(35,36)37;1-2-3-4-18-5-14-24(25(32)15-18)29(40)41-21-10-6-19(7-11-21)30(36,37)42-22-12-8-20(9-13-22)31(38,39)43-23-16-26(33)28(35)27(34)17-23;1-2-3-18-4-5-19(25(31)14-18)17-39-22-10-6-20(7-11-22)29(35,36)40-23-12-8-21(9-13-23)30(37,38)41-24-15-26(32)28(34)27(33)16-24;1-2-37-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)28(33,34)38-23-13-11-22(12-14-23)29(35,36)39-24-15-25(30)27(32)26(31)16-24;1-2-36-21-11-5-18(6-12-21)17-3-7-19(8-4-17)27(32,33)37-22-13-9-20(10-14-22)28(34,35)38-23-15-24(29)26(31)25(30)16-23/h5,9,16-19,22-24H,2-3,6-7,10-15H2,1H3;6,13-16,19-22H,2-5,7-12,17H2,1H3;5,14-17,19-22H,2-4,6-13H2,1H3;4-5,14-16,20-23H,2-3,6-13,17H2,1H3;3-6,15-16,20-23H,2,7-14,17H2,1H3;5-6,11-12,15-17,19-20,22H,2-4,7-10,13-14H2,1H3
InChIKeyRBQSJUJAZQRXBF-UHFFFAOYSA-N
XLogP55.68
TPSA183.21 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds61
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003627.46
LogP ≤ 555.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene (CID 160580020) is 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene is CCCCc1ccc(C(=O)OC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(C#CC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(COC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1.CCCc1ccc(OCC2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)c(F)c1.CCOCc1ccc(C2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)cc1.CCOc1ccc(C2CCC(C(F)(F)OC3CCC(C(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)cc1.
What is the InChIKey of 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene?
The InChIKey is RBQSJUJAZQRXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F10O3.C31H34F10O3.C31H34F8O4.C30H34F8O3.C29H33F7O3.C28H31F7O3/c1-2-3-20-5-9-21(26(33)16-20)8-4-19-6-10-22(11-7-19)30(36,37)43-24-14-12-23(13-15-24)31(38,39)44-25-17-27(34)29(28(35)18-25)45-32(40,41)42;1-2-3-18-6-13-27(24(32)14-18)42-17-19-4-7-20(8-5-19)30(38,39)43-22-11-9-21(10-12-22)31(40,41)44-23-15-25(33)28(26(34)16-23)29(35,36)37;1-2-3-4-18-5-14-24(25(32)15-18)29(40)41-21-10-6-19(7-11-21)30(36,37)42-22-12-8-20(9-13-22)31(38,39)43-23-16-26(33)28(35)27(34)17-23;1-2-3-18-4-5-19(25(31)14-18)17-39-22-10-6-20(7-11-22)29(35,36)40-23-12-8-21(9-13-23)30(37,38)41-24-15-26(32)28(34)27(33)16-24;1-2-37-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)28(33,34)38-23-13-11-22(12-14-23)29(35,36)39-24-15-25(30)27(32)26(31)16-24;1-2-36-21-11-5-18(6-12-21)17-3-7-19(8-4-17)27(32,33)37-22-13-9-20(10-14-22)28(34,35)38-23-15-24(29)26(31)25(30)16-23/h5,9,16-19,22-24H,2-3,6-7,10-15H2,1H3;6,13-16,19-22H,2-5,7-12,17H2,1H3;5,14-17,19-22H,2-4,6-13H2,1H3;4-5,14-16,20-23H,2-3,6-13,17H2,1H3;3-6,15-16,20-23H,2,7-14,17H2,1H3;5-6,11-12,15-17,19-20,22H,2-4,7-10,13-14H2,1H3.
What are the key properties of 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene?
5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene has a molecular weight of 3627.46 g/mol, XLogP of 55.68, 61 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenoxy)methyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene;5-[[4-[difluoro-[4-[2-(2-fluoro-4-propylphenyl)ethynyl]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[[4-[difluoro-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]methoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;[4-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]oxy-difluoromethyl]cyclohexyl] 4-butyl-2-fluorobenzoate;5-[[4-[[4-[4-(ethoxymethyl)phenyl]cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[[4-(4-ethoxyphenyl)cyclohexyl]-difluoromethoxy]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene is sourced from PubChem (CID 160580020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).