methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate

C138H119F37N6O21Si — CID 157072934

About methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate

methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate (PubChem CID 157072934) has the molecular formula C138H119F37N6O21Si and a molecular weight of 2928.50 g/mol. Its IUPAC name is methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate.

Molecular Properties

• Compound Name: methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate
• PubChem CID: 157072934
• Molecular Formula: C138H119F37N6O21Si
• Molecular Weight: 2928.50 g/mol
• Exact Mass: 2926.76
• IUPAC Name: methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate
• SMILES: COC(=O)C(C)(C)Oc1ccc(CC(NC(=O)c2ccc(C)c(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1.COC(=O)C(C)Oc1ccc(CC(NC(=O)c2ccc(C)c(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1.COC(=O)C1CCC(COc2ccc(C[C@](NC(=O)c3ccc(F)c(C(F)(F)F)c3)(c3cc(F)cc(OC(F)(F)C(F)F)c3)c3ccc(F)c(OC(F)(F)F)c3)cc2)CC1.C[Si](C)(C)CCOC(=O)NC(Cc1ncccn1)(c1cccc(CC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
• InChI: InChI=1S/C40H32F13NO6.C36H30F9NO6.C35H28F9NO6.C27H29F6N3O3Si/c1-57-35(56)23-6-2-22(3-7-23)20-58-28-10-4-21(5-11-28)19-37(25-9-13-32(43)33(17-25)60-40(51,52)53,26-15-27(41)18-29(16-26)59-39(49,50)36(44)45)54-34(55)24-8-12-31(42)30(14-24)38(46,47)48;1-21-11-14-23(17-29(21)34(37,38)39)30(47)46-33(24-7-5-9-27(18-24)51-35(40,41)42,25-8-6-10-28(19-25)52-36(43,44)45)20-22-12-15-26(16-13-22)50-32(2,3)31(48)49-4;1-20-10-13-23(16-29(20)33(36,37)38)30(46)45-32(24-6-4-8-27(17-24)50-34(39,40)41,25-7-5-9-28(18-25)51-35(42,43)44)19-22-11-14-26(15-12-22)49-21(2)31(47)48-3;1-40(2,3)14-13-38-24(37)36-25(18-23-34-11-6-12-35-23,20-8-4-7-19(15-20)17-26(28,29)30)21-9-5-10-22(16-21)39-27(31,32)33/h4-5,8-18,22-23,36H,2-3,6-7,19-20H2,1H3,(H,54,55);5-19H,20H2,1-4H3,(H,46,47);4-18,21H,19H2,1-3H3,(H,45,46);4-12,15-16H,13-14,17-18H2,1-3H3,(H,36,37)/t22?,23?,37-;;;/m1.../s1
• InChIKey: ACQJMFNQCKJATA-NSAMAWTASA-N
• XLogP: 35.29
• TPSA: 322.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 46
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2928.50
LogP ≤ 5	35.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate?

The IUPAC name of methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate (CID 157072934) is methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate.

What is the SMILES notation for methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate?

The canonical SMILES for methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate is COC(=O)C(C)(C)Oc1ccc(CC(NC(=O)c2ccc(C)c(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1.COC(=O)C(C)Oc1ccc(CC(NC(=O)c2ccc(C)c(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1.COC(=O)C1CCC(COc2ccc(C[C@](NC(=O)c3ccc(F)c(C(F)(F)F)c3)(c3cc(F)cc(OC(F)(F)C(F)F)c3)c3ccc(F)c(OC(F)(F)F)c3)cc2)CC1.C[Si](C)(C)CCOC(=O)NC(Cc1ncccn1)(c1cccc(CC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1.

What is the InChIKey of methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate?

The InChIKey is ACQJMFNQCKJATA-NSAMAWTASA-N. The full InChI is InChI=1S/C40H32F13NO6.C36H30F9NO6.C35H28F9NO6.C27H29F6N3O3Si/c1-57-35(56)23-6-2-22(3-7-23)20-58-28-10-4-21(5-11-28)19-37(25-9-13-32(43)33(17-25)60-40(51,52)53,26-15-27(41)18-29(16-26)59-39(49,50)36(44)45)54-34(55)24-8-12-31(42)30(14-24)38(46,47)48;1-21-11-14-23(17-29(21)34(37,38)39)30(47)46-33(24-7-5-9-27(18-24)51-35(40,41)42,25-8-6-10-28(19-25)52-36(43,44)45)20-22-12-15-26(16-13-22)50-32(2,3)31(48)49-4;1-20-10-13-23(16-29(20)33(36,37)38)30(46)45-32(24-6-4-8-27(17-24)50-34(39,40)41,25-7-5-9-28(18-25)51-35(42,43)44)19-22-11-14-26(15-12-22)49-21(2)31(47)48-3;1-40(2,3)14-13-38-24(37)36-25(18-23-34-11-6-12-35-23,20-8-4-7-19(15-20)17-26(28,29)30)21-9-5-10-22(16-21)39-27(31,32)33/h4-5,8-18,22-23,36H,2-3,6-7,19-20H2,1H3,(H,54,55);5-19H,20H2,1-4H3,(H,46,47);4-18,21H,19H2,1-3H3,(H,45,46);4-12,15-16H,13-14,17-18H2,1-3H3,(H,36,37)/t22?,23?,37-;;;/m1.../s1.

What are the key properties of methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate?

methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate has a molecular weight of 2928.50 g/mol, XLogP of 35.29, 46 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[[4-[(2R)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]methyl]cyclohexane-1-carboxylate;methyl 2-methyl-2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;methyl 2-[4-[2-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]propanoate;2-trimethylsilylethyl N-[2-pyrimidin-2-yl-1-[3-(2,2,2-trifluoroethyl)phenyl]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate is sourced from PubChem (CID 157072934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).