lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide

C123H136F21LiN6O27 — CID 161069252

About lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide

lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide (PubChem CID 161069252) has the molecular formula C123H136F21LiN6O27 and a molecular weight of 2536.35 g/mol. Its IUPAC name is lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide.

Molecular Properties

• Compound Name: lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide
• PubChem CID: 161069252
• Molecular Formula: C123H136F21LiN6O27
• Molecular Weight: 2536.35 g/mol
• Exact Mass: 2534.93
• IUPAC Name: lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide
• SMILES: C=C(c1ccc(C(=O)OC)cc1)C(F)(F)F.CC1(C)OCC(c2ccc(C(=O)N(C3CC3)C3CCC(COC(N)=O)(c4ccc(F)cc4)CC3)cc2)(C(F)(F)F)O1.CC1(C)OCC(c2ccc(C(=O)O)cc2)(C(F)(F)F)O1.COC(=O)c1ccc(C(O)(CO)C(F)(F)F)cc1.COC(=O)c1ccc(C2(C(F)(F)F)COC(C)(C)O2)cc1.NC(=O)OCC1(c2ccc(F)cc2)CCC(N(C(=O)c2ccc(C(O)(CO)C(F)(F)F)cc2)C2CC2)CC1.NC(=O)OCC1(c2ccc(F)cc2)CCC(NC2CC2)CC1.[Li+].[OH-]
• InChI: InChI=1S/C30H34F4N2O5.C27H30F4N2O5.C17H23FN2O2.C14H15F3O4.C13H13F3O4.C11H11F3O4.C11H9F3O2.Li.H2O/c1-27(2)40-18-29(41-27,30(32,33)34)21-5-3-19(4-6-21)25(37)36(23-11-12-23)24-13-15-28(16-14-24,17-39-26(35)38)20-7-9-22(31)10-8-20;28-20-7-5-18(6-8-20)25(16-38-24(32)36)13-11-22(12-14-25)33(21-9-10-21)23(35)17-1-3-19(4-2-17)26(37,15-34)27(29,30)31;18-13-3-1-12(2-4-13)17(11-22-16(19)21)9-7-15(8-10-17)20-14-5-6-14;1-12(2)20-8-13(21-12,14(15,16)17)10-6-4-9(5-7-10)11(18)19-3;1-11(2)19-7-12(20-11,13(14,15)16)9-5-3-8(4-6-9)10(17)18;1-18-9(16)7-2-4-8(5-3-7)10(17,6-15)11(12,13)14;1-7(11(12,13)14)8-3-5-9(6-4-8)10(15)16-2;;/h3-10,23-24H,11-18H2,1-2H3,(H2,35,38);1-8,21-22,34,37H,9-16H2,(H2,32,36);1-4,14-15,20H,5-11H2,(H2,19,21);4-7H,8H2,1-3H3;3-6H,7H2,1-2H3,(H,17,18);2-5,15,17H,6H2,1H3;3-6H,1H2,2H3;;1H2/q;;;;;;;+1;/p-1
• InChIKey: UELAXPOYGOTNEN-UHFFFAOYSA-M
• XLogP: 19.98
• TPSA: 492.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2536.35
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide?

The IUPAC name of lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide (CID 161069252) is lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide.

What is the SMILES notation for lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide?

The canonical SMILES for lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide is C=C(c1ccc(C(=O)OC)cc1)C(F)(F)F.CC1(C)OCC(c2ccc(C(=O)N(C3CC3)C3CCC(COC(N)=O)(c4ccc(F)cc4)CC3)cc2)(C(F)(F)F)O1.CC1(C)OCC(c2ccc(C(=O)O)cc2)(C(F)(F)F)O1.COC(=O)c1ccc(C(O)(CO)C(F)(F)F)cc1.COC(=O)c1ccc(C2(C(F)(F)F)COC(C)(C)O2)cc1.NC(=O)OCC1(c2ccc(F)cc2)CCC(N(C(=O)c2ccc(C(O)(CO)C(F)(F)F)cc2)C2CC2)CC1.NC(=O)OCC1(c2ccc(F)cc2)CCC(NC2CC2)CC1.[Li+].[OH-].

What is the InChIKey of lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide?

The InChIKey is UELAXPOYGOTNEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H34F4N2O5.C27H30F4N2O5.C17H23FN2O2.C14H15F3O4.C13H13F3O4.C11H11F3O4.C11H9F3O2.Li.H2O/c1-27(2)40-18-29(41-27,30(32,33)34)21-5-3-19(4-6-21)25(37)36(23-11-12-23)24-13-15-28(16-14-24,17-39-26(35)38)20-7-9-22(31)10-8-20;28-20-7-5-18(6-8-20)25(16-38-24(32)36)13-11-22(12-14-25)33(21-9-10-21)23(35)17-1-3-19(4-2-17)26(37,15-34)27(29,30)31;18-13-3-1-12(2-4-13)17(11-22-16(19)21)9-7-15(8-10-17)20-14-5-6-14;1-12(2)20-8-13(21-12,14(15,16)17)10-6-4-9(5-7-10)11(18)19-3;1-11(2)19-7-12(20-11,13(14,15)16)9-5-3-8(4-6-9)10(17)18;1-18-9(16)7-2-4-8(5-3-7)10(17,6-15)11(12,13)14;1-7(11(12,13)14)8-3-5-9(6-4-8)10(15)16-2;;/h3-10,23-24H,11-18H2,1-2H3,(H2,35,38);1-8,21-22,34,37H,9-16H2,(H2,32,36);1-4,14-15,20H,5-11H2,(H2,19,21);4-7H,8H2,1-3H3;3-6H,7H2,1-2H3,(H,17,18);2-5,15,17H,6H2,1H3;3-6H,1H2,2H3;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide?

lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide has a molecular weight of 2536.35 g/mol, XLogP of 19.98, 29 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;[4-(cyclopropylamino)-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoic acid;methyl 4-[2,2-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-4-yl]benzoate;methyl 4-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)benzoate;methyl 4-(3,3,3-trifluoroprop-1-en-2-yl)benzoate;hydroxide is sourced from PubChem (CID 161069252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).