4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide

C73H86F4IN4O6S2+ — CID 159072382

About 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide

4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide (PubChem CID 159072382) has the molecular formula C73H86F4IN4O6S2+ and a molecular weight of 1382.54 g/mol. Its IUPAC name is 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide.

Molecular Properties

• Compound Name: 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide
• PubChem CID: 159072382
• Molecular Formula: C73H86F4IN4O6S2+
• Molecular Weight: 1382.54 g/mol
• Exact Mass: 1381.50
• IUPAC Name: 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide
• SMILES: CC(F)(F)C(=O)O.CC(F)(F)C(=O)OC1CCC(C2CCCCC2)CC1.O=C(n1ccnc1)n1ccnc1.OC1CCC(C2CCCCC2)CC1.[I-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15S.C15H24F2O2.C12H22O.C7H6N4O.C3H4F2O2.HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(16,17)14(18)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2(6)7;/h2*1-15H;11-13H,2-10H2,1H3;10-13H,1-9H2;1-6H;1H3,(H,6,7);1H/q2*+1;;;;;/p-1
• InChIKey: NLIGMOKIOIUPMJ-UHFFFAOYSA-M
• XLogP: 15.33
• TPSA: 136.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1382.54
LogP ≤ 5	15.33
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide?

The IUPAC name of 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide (CID 159072382) is 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide.

What is the SMILES notation for 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide?

The canonical SMILES for 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide is CC(F)(F)C(=O)O.CC(F)(F)C(=O)OC1CCC(C2CCCCC2)CC1.O=C(n1ccnc1)n1ccnc1.OC1CCC(C2CCCCC2)CC1.[I-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide?

The InChIKey is NLIGMOKIOIUPMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H15S.C15H24F2O2.C12H22O.C7H6N4O.C3H4F2O2.HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(16,17)14(18)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2(6)7;/h2*1-15H;11-13H,2-10H2,1H3;10-13H,1-9H2;1-6H;1H3,(H,6,7);1H/q2*+1;;;;;/p-1.

What are the key properties of 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide?

4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide has a molecular weight of 1382.54 g/mol, XLogP of 15.33, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide is sourced from PubChem (CID 159072382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).