lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol

C70H99BrF9LiO2 — CID 159188423

About lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol

lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 159188423) has the molecular formula C70H99BrF9LiO2 and a molecular weight of 1230.39 g/mol. Its IUPAC name is lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
• PubChem CID: 159188423
• Molecular Formula: C70H99BrF9LiO2
• Molecular Weight: 1230.39 g/mol
• Exact Mass: 1228.68
• IUPAC Name: lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
• SMILES: CCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)cc3)CC2)CC1.CCCC1CCC(C2CCC(=O)CC2)CC1.CCCC1CCC(C2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)CC1.FC(F)(F)c1ccc(Br)cc1.[CH2-]CCC.[Li+]
• InChI: InChI=1S/C22H31F3O.C22H29F3.C15H26O.C7H4BrF3.C4H9.Li/c1-2-3-16-4-6-17(7-5-16)18-12-14-21(26,15-13-18)19-8-10-20(11-9-19)22(23,24)25;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(23,24)25;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14;8-6-3-1-5(2-4-6)7(9,10)11;1-3-4-2;/h8-11,16-18,26H,2-7,12-15H2,1H3;10,12-18H,2-9,11H2,1H3;12-14H,2-11H2,1H3;1-4H;1,3-4H2,2H3;/q;;;;-1;+1
• InChIKey: HAVNLSUWRJAKOX-UHFFFAOYSA-N
• XLogP: 20.63
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1230.39
LogP ≤ 5	20.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?

The IUPAC name of lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 159188423) is lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol.

What is the SMILES notation for lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?

The canonical SMILES for lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol is CCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)cc3)CC2)CC1.CCCC1CCC(C2CCC(=O)CC2)CC1.CCCC1CCC(C2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)CC1.FC(F)(F)c1ccc(Br)cc1.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?

The InChIKey is HAVNLSUWRJAKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3O.C22H29F3.C15H26O.C7H4BrF3.C4H9.Li/c1-2-3-16-4-6-17(7-5-16)18-12-14-21(26,15-13-18)19-8-10-20(11-9-19)22(23,24)25;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(23,24)25;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14;8-6-3-1-5(2-4-6)7(9,10)11;1-3-4-2;/h8-11,16-18,26H,2-7,12-15H2,1H3;10,12-18H,2-9,11H2,1H3;12-14H,2-11H2,1H3;1-4H;1,3-4H2,2H3;/q;;;;-1;+1.

What are the key properties of lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?

lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 1230.39 g/mol, XLogP of 20.63, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 159188423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).