methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate

C129H106F34N6O21Si — CID 161461914

About methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate

methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate (PubChem CID 161461914) has the molecular formula C129H106F34N6O21Si and a molecular weight of 2750.31 g/mol. Its IUPAC name is methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate.

Molecular Properties

• Compound Name: methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate
• PubChem CID: 161461914
• Molecular Formula: C129H106F34N6O21Si
• Molecular Weight: 2750.31 g/mol
• Exact Mass: 2748.66
• IUPAC Name: methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[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)c1cccc(CC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c1.C[Si](C)(C)CCOC(=O)NC(Cc1ncccn1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
• InChI: InChI=1S/C36H30F9NO6.C35H28F9NO6.C32H21F10NO5.C26H27F6N3O4Si/c1-21-11-14-23(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;1-46-28(45)20-6-2-5-18(13-20)17-29(21-7-3-9-23(15-21)47-31(37,38)39,22-8-4-10-24(16-22)48-32(40,41)42)43-27(44)19-11-12-26(33)25(14-19)30(34,35)36;1-40(2,3)14-13-37-23(36)35-24(17-22-33-11-6-12-34-22,18-7-4-9-20(15-18)38-25(27,28)29)19-8-5-10-21(16-19)39-26(30,31)32/h5-19H,20H2,1-4H3,(H,46,47);4-18,21H,19H2,1-3H3,(H,45,46);2-16H,17H2,1H3,(H,43,44);4-12,15-16H,13-14,17H2,1-3H3,(H,35,36)
• InChIKey: WBXSTIRTMIXBBF-UHFFFAOYSA-N
• XLogP: 32.89
• TPSA: 322.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 41
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2750.31
LogP ≤ 5	32.89
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'}

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate?

The IUPAC name of methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate (CID 161461914) is methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate.

What is the SMILES notation for methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate?

The canonical SMILES for methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[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)c1cccc(CC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c1.C[Si](C)(C)CCOC(=O)NC(Cc1ncccn1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1.

What is the InChIKey of methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate?

The InChIKey is WBXSTIRTMIXBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30F9NO6.C35H28F9NO6.C32H21F10NO5.C26H27F6N3O4Si/c1-21-11-14-23(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;1-46-28(45)20-6-2-5-18(13-20)17-29(21-7-3-9-23(15-21)47-31(37,38)39,22-8-4-10-24(16-22)48-32(40,41)42)43-27(44)19-11-12-26(33)25(14-19)30(34,35)36;1-40(2,3)14-13-37-23(36)35-24(17-22-33-11-6-12-34-22,18-7-4-9-20(15-18)38-25(27,28)29)19-8-5-10-21(16-19)39-26(30,31)32/h5-19H,20H2,1-4H3,(H,46,47);4-18,21H,19H2,1-3H3,(H,45,46);2-16H,17H2,1H3,(H,43,44);4-12,15-16H,13-14,17H2,1-3H3,(H,35,36).

What are the key properties of methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate?

methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate has a molecular weight of 2750.31 g/mol, XLogP of 32.89, 41 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate;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-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamate is sourced from PubChem (CID 161461914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).