4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)

C82H106F4N4O6S2+2 — CID 162129425

About 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)

4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium) (PubChem CID 162129425) has the molecular formula C82H106F4N4O6S2+2 and a molecular weight of 1383.90 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)
• PubChem CID: 162129425
• Molecular Formula: C82H106F4N4O6S2+2
• Molecular Weight: 1383.90 g/mol
• Exact Mass: 1382.75
• IUPAC Name: 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)
• SMILES: C.CC(F)(F)C(=O)O.CCCCC1CCC(C2CCC(O)CC2)CC1.CCCCC1CCC(C2CCC(OC(=O)C(C)(F)F)CC2)CC1.O=C(n1ccnc1)n1ccnc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C19H32F2O2.2C18H15S.C16H30O.C7H6N4O.C3H4F2O2.CH4/c1-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)23-18(22)19(2,20)21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2(6)7;/h14-17H,3-13H2,1-2H3;2*1-15H;13-17H,2-12H2,1H3;1-6H;1H3,(H,6,7);1H4/q;2*+1
• InChIKey: ZILVQEZGTAFOFG-UHFFFAOYSA-N
• XLogP: 21.80
• TPSA: 136.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1383.90
LogP ≤ 5	21.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)?

The IUPAC name of 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium) (CID 162129425) is 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium).

What is the SMILES notation for 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)?

The canonical SMILES for 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium) is C.CC(F)(F)C(=O)O.CCCCC1CCC(C2CCC(O)CC2)CC1.CCCCC1CCC(C2CCC(OC(=O)C(C)(F)F)CC2)CC1.O=C(n1ccnc1)n1ccnc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)?

The InChIKey is ZILVQEZGTAFOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2O2.2C18H15S.C16H30O.C7H6N4O.C3H4F2O2.CH4/c1-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)23-18(22)19(2,20)21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2(6)7;/h14-17H,3-13H2,1-2H3;2*1-15H;13-17H,2-12H2,1H3;1-6H;1H3,(H,6,7);1H4/q;2*+1;;;;.

What are the key properties of 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)?

4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium) has a molecular weight of 1383.90 g/mol, XLogP of 21.80, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium) is sourced from PubChem (CID 162129425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).