4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate

C261H300F50O20 — CID 160886827

IUPAC4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate
SMILESCC/C=C/Cc1ccc(C(F)(F)OC2CCC(OCC3CCC(C#Cc4cc(F)c(F)c(F)c4)CC3)CC2)cc1.CC/C=C\Cc1ccc(C(F)(F)OC2CCC(C3CCC(CCc4ccc(OC(F)(F)F)c(F)c4)CC3)CC2)cc1.CCCCCc1ccc(C(F)(F)OC2CCC(C(=O)OC3CCC(/C=C/c4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)cc1.CCCCCc1ccc(C(F)(F)OC2CCC(C(=O)OC3CCC(C#Cc4ccc(OC(F)(F)F)c(F)c4)CC3)CC2)cc1.CCCCOc1ccc(C(F)(F)OC2CCC(OCC3CCC(CCCCc4ccc(F)c(F)c4)CC3)CC2)cc1.CCCc1ccc(C(F)(F)OC2CCC(C#CC3CCC(C#Cc4ccc(C(F)(F)F)c(F)c4)CC3)CC2)cc1.CCOc1ccc(C(F)(F)OC2CCC(COC3CCC(c4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)cc1.COCCc1ccc(C(F)(F)OC2CCC(/C(F)=C(\F)C3CCC(c4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)cc1
InChIInChI=1S/C34H39F7O3.C34H38F6O4.C34H46F4O3.C33H40F6O2.C33H34F6O.C33H37F5O2.C31H33F9O2.C29H33F7O3/c1-2-3-4-5-22-8-14-26(15-9-22)34(40,41)44-28-18-12-25(13-19-28)32(42)43-27-16-10-23(11-17-27)6-7-24-20-29(35)31(30(36)21-24)33(37,38)39;1-2-3-4-5-23-8-15-27(16-9-23)33(36,37)43-29-19-13-26(14-20-29)32(41)42-28-17-10-24(11-18-28)6-7-25-12-21-31(30(35)22-25)44-34(38,39)40;1-2-3-22-39-29-15-13-28(14-16-29)34(37,38)41-31-19-17-30(18-20-31)40-24-27-10-8-25(9-11-27)6-4-5-7-26-12-21-32(35)33(36)23-26;1-2-3-4-5-23-10-17-28(18-11-23)32(35,36)40-29-19-15-27(16-20-29)26-13-8-24(9-14-26)6-7-25-12-21-31(30(34)22-25)41-33(37,38)39;1-2-3-23-12-17-28(18-13-23)33(38,39)40-29-19-14-26(15-20-29)9-8-24-4-6-25(7-5-24)10-11-27-16-21-30(31(34)22-27)32(35,36)37;1-2-3-4-5-23-12-14-27(15-13-23)33(37,38)40-29-18-16-28(17-19-29)39-22-25-9-6-24(7-10-25)8-11-26-20-30(34)32(36)31(35)21-26;1-41-15-14-18-2-10-23(11-3-18)31(39,40)42-24-12-8-21(9-13-24)29(35)28(34)20-6-4-19(5-7-20)22-16-25(32)27(26(33)17-22)30(36,37)38;1-2-37-22-13-7-21(8-14-22)29(35,36)39-24-9-3-18(4-10-24)17-38-23-11-5-19(6-12-23)20-15-25(30)27(26(31)16-20)28(32,33)34/h6-9,14-15,20-21,23,25,27-28H,2-5,10-13,16-19H2,1H3;8-9,12,15-16,21-22,24,26,28-29H,2-5,10-11,13-14,17-20H2,1H3;12-16,21,23,25,27,30-31H,2-11,17-20,22,24H2,1H3;3-4,10-12,17-18,21-22,24,26-27,29H,2,5-9,13-16,19-20H2,1H3;12-13,16-18,21-22,24-26,29H,2-7,14-15,19-20H2,1H3;3-4,12-15,20-21,24-25,28-29H,2,5-7,9-10,16-19,22H2,1H3;2-3,10-11,16-17,19-21,24H,4-9,12-15H2,1H3;7-8,13-16,18-19,23-24H,2-6,9-12,17H2,1H3/b7-6+;;;4-3-;;4-3+;29-28+;
InChIKeySNTCHSFCDDBXFK-CAQYYLINSA-N
MW4707.15 g/mol
LogP76.26
Rot. Bonds79

About 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate

4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate (PubChem CID 160886827) has the molecular formula C261H300F50O20 and a molecular weight of 4707.15 g/mol. Its IUPAC name is 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate
PubChem CID160886827
Molecular FormulaC261H300F50O20
Molecular Weight4707.15 g/mol
Exact Mass4704.17
IUPAC Name4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate
SMILESCC/C=C/Cc1ccc(C(F)(F)OC2CCC(OCC3CCC(C#Cc4cc(F)c(F)c(F)c4)CC3)CC2)cc1.CC/C=C\Cc1ccc(C(F)(F)OC2CCC(C3CCC(CCc4ccc(OC(F)(F)F)c(F)c4)CC3)CC2)cc1.CCCCCc1ccc(C(F)(F)OC2CCC(C(=O)OC3CCC(/C=C/c4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)cc1.CCCCCc1ccc(C(F)(F)OC2CCC(C(=O)OC3CCC(C#Cc4ccc(OC(F)(F)F)c(F)c4)CC3)CC2)cc1.CCCCOc1ccc(C(F)(F)OC2CCC(OCC3CCC(CCCCc4ccc(F)c(F)c4)CC3)CC2)cc1.CCCc1ccc(C(F)(F)OC2CCC(C#CC3CCC(C#Cc4ccc(C(F)(F)F)c(F)c4)CC3)CC2)cc1.CCOc1ccc(C(F)(F)OC2CCC(COC3CCC(c4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)cc1.COCCc1ccc(C(F)(F)OC2CCC(/C(F)=C(\F)C3CCC(c4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)cc1
InChIInChI=1S/C34H39F7O3.C34H38F6O4.C34H46F4O3.C33H40F6O2.C33H34F6O.C33H37F5O2.C31H33F9O2.C29H33F7O3/c1-2-3-4-5-22-8-14-26(15-9-22)34(40,41)44-28-18-12-25(13-19-28)32(42)43-27-16-10-23(11-17-27)6-7-24-20-29(35)31(30(36)21-24)33(37,38)39;1-2-3-4-5-23-8-15-27(16-9-23)33(36,37)43-29-19-13-26(14-20-29)32(41)42-28-17-10-24(11-18-28)6-7-25-12-21-31(30(35)22-25)44-34(38,39)40;1-2-3-22-39-29-15-13-28(14-16-29)34(37,38)41-31-19-17-30(18-20-31)40-24-27-10-8-25(9-11-27)6-4-5-7-26-12-21-32(35)33(36)23-26;1-2-3-4-5-23-10-17-28(18-11-23)32(35,36)40-29-19-15-27(16-20-29)26-13-8-24(9-14-26)6-7-25-12-21-31(30(34)22-25)41-33(37,38)39;1-2-3-23-12-17-28(18-13-23)33(38,39)40-29-19-14-26(15-20-29)9-8-24-4-6-25(7-5-24)10-11-27-16-21-30(31(34)22-27)32(35,36)37;1-2-3-4-5-23-12-14-27(15-13-23)33(37,38)40-29-18-16-28(17-19-29)39-22-25-9-6-24(7-10-25)8-11-26-20-30(34)32(36)31(35)21-26;1-41-15-14-18-2-10-23(11-3-18)31(39,40)42-24-12-8-21(9-13-24)29(35)28(34)20-6-4-19(5-7-20)22-16-25(32)27(26(33)17-22)30(36,37)38;1-2-37-22-13-7-21(8-14-22)29(35,36)39-24-9-3-18(4-10-24)17-38-23-11-5-19(6-12-23)20-15-25(30)27(26(31)16-20)28(32,33)34/h6-9,14-15,20-21,23,25,27-28H,2-5,10-13,16-19H2,1H3;8-9,12,15-16,21-22,24,26,28-29H,2-5,10-11,13-14,17-20H2,1H3;12-16,21,23,25,27,30-31H,2-11,17-20,22,24H2,1H3;3-4,10-12,17-18,21-22,24,26-27,29H,2,5-9,13-16,19-20H2,1H3;12-13,16-18,21-22,24-26,29H,2-7,14-15,19-20H2,1H3;3-4,12-15,20-21,24-25,28-29H,2,5-7,9-10,16-19,22H2,1H3;2-3,10-11,16-17,19-21,24H,4-9,12-15H2,1H3;7-8,13-16,18-19,23-24H,2-6,9-12,17H2,1H3/b7-6+;;;4-3-;;4-3+;29-28+;
InChIKeySNTCHSFCDDBXFK-CAQYYLINSA-N
XLogP76.26
TPSA200.28 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds79
Heavy Atoms331
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004707.15
LogP ≤ 576.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate?
The IUPAC name of 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate (CID 160886827) is 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate?
The canonical SMILES for 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate is CC/C=C/Cc1ccc(C(F)(F)OC2CCC(OCC3CCC(C#Cc4cc(F)c(F)c(F)c4)CC3)CC2)cc1.CC/C=C\Cc1ccc(C(F)(F)OC2CCC(C3CCC(CCc4ccc(OC(F)(F)F)c(F)c4)CC3)CC2)cc1.CCCCCc1ccc(C(F)(F)OC2CCC(C(=O)OC3CCC(/C=C/c4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)cc1.CCCCCc1ccc(C(F)(F)OC2CCC(C(=O)OC3CCC(C#Cc4ccc(OC(F)(F)F)c(F)c4)CC3)CC2)cc1.CCCCOc1ccc(C(F)(F)OC2CCC(OCC3CCC(CCCCc4ccc(F)c(F)c4)CC3)CC2)cc1.CCCc1ccc(C(F)(F)OC2CCC(C#CC3CCC(C#Cc4ccc(C(F)(F)F)c(F)c4)CC3)CC2)cc1.CCOc1ccc(C(F)(F)OC2CCC(COC3CCC(c4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)cc1.COCCc1ccc(C(F)(F)OC2CCC(/C(F)=C(\F)C3CCC(c4cc(F)c(C(F)(F)F)c(F)c4)CC3)CC2)cc1.
What is the InChIKey of 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate?
The InChIKey is SNTCHSFCDDBXFK-CAQYYLINSA-N. The full InChI is InChI=1S/C34H39F7O3.C34H38F6O4.C34H46F4O3.C33H40F6O2.C33H34F6O.C33H37F5O2.C31H33F9O2.C29H33F7O3/c1-2-3-4-5-22-8-14-26(15-9-22)34(40,41)44-28-18-12-25(13-19-28)32(42)43-27-16-10-23(11-17-27)6-7-24-20-29(35)31(30(36)21-24)33(37,38)39;1-2-3-4-5-23-8-15-27(16-9-23)33(36,37)43-29-19-13-26(14-20-29)32(41)42-28-17-10-24(11-18-28)6-7-25-12-21-31(30(35)22-25)44-34(38,39)40;1-2-3-22-39-29-15-13-28(14-16-29)34(37,38)41-31-19-17-30(18-20-31)40-24-27-10-8-25(9-11-27)6-4-5-7-26-12-21-32(35)33(36)23-26;1-2-3-4-5-23-10-17-28(18-11-23)32(35,36)40-29-19-15-27(16-20-29)26-13-8-24(9-14-26)6-7-25-12-21-31(30(34)22-25)41-33(37,38)39;1-2-3-23-12-17-28(18-13-23)33(38,39)40-29-19-14-26(15-20-29)9-8-24-4-6-25(7-5-24)10-11-27-16-21-30(31(34)22-27)32(35,36)37;1-2-3-4-5-23-12-14-27(15-13-23)33(37,38)40-29-18-16-28(17-19-29)39-22-25-9-6-24(7-10-25)8-11-26-20-30(34)32(36)31(35)21-26;1-41-15-14-18-2-10-23(11-3-18)31(39,40)42-24-12-8-21(9-13-24)29(35)28(34)20-6-4-19(5-7-20)22-16-25(32)27(26(33)17-22)30(36,37)38;1-2-37-22-13-7-21(8-14-22)29(35,36)39-24-9-3-18(4-10-24)17-38-23-11-5-19(6-12-23)20-15-25(30)27(26(31)16-20)28(32,33)34/h6-9,14-15,20-21,23,25,27-28H,2-5,10-13,16-19H2,1H3;8-9,12,15-16,21-22,24,26,28-29H,2-5,10-11,13-14,17-20H2,1H3;12-16,21,23,25,27,30-31H,2-11,17-20,22,24H2,1H3;3-4,10-12,17-18,21-22,24,26-27,29H,2,5-9,13-16,19-20H2,1H3;12-13,16-18,21-22,24-26,29H,2-7,14-15,19-20H2,1H3;3-4,12-15,20-21,24-25,28-29H,2,5-7,9-10,16-19,22H2,1H3;2-3,10-11,16-17,19-21,24H,4-9,12-15H2,1H3;7-8,13-16,18-19,23-24H,2-6,9-12,17H2,1H3/b7-6+;;;4-3-;;4-3+;29-28+;.
What are the key properties of 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate?
4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate has a molecular weight of 4707.15 g/mol, XLogP of 76.26, 79 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[[4-[(4-butoxyphenyl)-difluoromethoxy]cyclohexyl]oxymethyl]cyclohexyl]butyl]-1,2-difluorobenzene;5-[4-[(E)-2-[4-[difluoro-[4-(2-methoxyethyl)phenyl]methoxy]cyclohexyl]-1,2-difluoroethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;4-[2-[4-[4-[difluoro-[4-[(Z)-pent-2-enyl]phenyl]methoxy]cyclohexyl]cyclohexyl]ethyl]-2-fluoro-1-(trifluoromethoxy)benzene;5-[2-[4-[[4-[difluoro-[4-[(E)-pent-2-enyl]phenyl]methoxy]cyclohexyl]oxymethyl]cyclohexyl]ethynyl]-1,2,3-trifluorobenzene;4-[2-[4-[2-[4-[difluoro-(4-propylphenyl)methoxy]cyclohexyl]ethynyl]cyclohexyl]ethynyl]-2-fluoro-1-(trifluoromethyl)benzene;[4-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate;5-[4-[[4-[(4-ethoxyphenyl)-difluoromethoxy]cyclohexyl]methoxy]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene;[4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]cyclohexyl] 4-[difluoro-(4-pentylphenyl)methoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 160886827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).