4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium

C109H186F8N8O5 — CID 158127267

About 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium

4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium (PubChem CID 158127267) has the molecular formula C109H186F8N8O5 and a molecular weight of 1840.72 g/mol. Its IUPAC name is 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium.

Molecular Properties

• Compound Name: 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium
• PubChem CID: 158127267
• Molecular Formula: C109H186F8N8O5
• Molecular Weight: 1840.72 g/mol
• Exact Mass: 1839.44
• IUPAC Name: 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium
• SMILES: CC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)C1CCOCC1.CC(C)(C)CC(F)(F)c1ccccn1.CC(C)(C)CCC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CCC1CCNCC1.CC(C)(C)CCN1CCCC(F)(F)C1.CC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1cccc[n+]1[O-].CC(C)(C)Cc1cncc(F)c1.COc1ccc(CC(C)(C)C)cn1
• InChI: InChI=1S/C16H31NO2.C11H21F2N.C11H15F2N.C11H17NO.C11H23N.C10H18F2.2C10H14FN.C10H15NO.C9H18O/c1-15(2,3)10-7-13-8-11-17(12-9-13)14(18)19-16(4,5)6;1-10(2,3)6-8-14-7-4-5-11(12,13)9-14;1-10(2,3)8-11(12,13)9-6-4-5-7-14-9;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)7-4-10-5-8-12-9-6-10;1-9(2,3)8-4-6-10(11,12)7-5-8;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)8-9-6-4-5-7-11(9)12;1-9(2,3)8-4-6-10-7-5-8/h13H,7-12H2,1-6H3;4-9H2,1-3H3;4-7H,8H2,1-3H3;5-6,8H,7H2,1-4H3;10,12H,4-9H2,1-3H3;8H,4-7H2,1-3H3;4,6-7H,5H2,1-3H3;4-5,7H,6H2,1-3H3;4-7H,8H2,1-3H3;8H,4-7H2,1-3H3
• InChIKey: CBVAEIHBDMFHBI-UHFFFAOYSA-N
• XLogP: 30.56
• TPSA: 141.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.72
LogP ≤ 5	30.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium?

The IUPAC name of 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium (CID 158127267) is 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium.

What is the SMILES notation for 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium?

The canonical SMILES for 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium is CC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)C1CCOCC1.CC(C)(C)CC(F)(F)c1ccccn1.CC(C)(C)CCC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CCC1CCNCC1.CC(C)(C)CCN1CCCC(F)(F)C1.CC(C)(C)Cc1ccc(F)nc1.CC(C)(C)Cc1cccc[n+]1[O-].CC(C)(C)Cc1cncc(F)c1.COc1ccc(CC(C)(C)C)cn1.

What is the InChIKey of 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium?

The InChIKey is CBVAEIHBDMFHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2.C11H21F2N.C11H15F2N.C11H17NO.C11H23N.C10H18F2.2C10H14FN.C10H15NO.C9H18O/c1-15(2,3)10-7-13-8-11-17(12-9-13)14(18)19-16(4,5)6;1-10(2,3)6-8-14-7-4-5-11(12,13)9-14;1-10(2,3)8-11(12,13)9-6-4-5-7-14-9;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)7-4-10-5-8-12-9-6-10;1-9(2,3)8-4-6-10(11,12)7-5-8;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)6-8-4-5-9(11)12-7-8;1-10(2,3)8-9-6-4-5-7-11(9)12;1-9(2,3)8-4-6-10-7-5-8/h13H,7-12H2,1-6H3;4-9H2,1-3H3;4-7H,8H2,1-3H3;5-6,8H,7H2,1-4H3;10,12H,4-9H2,1-3H3;8H,4-7H2,1-3H3;4,6-7H,5H2,1-3H3;4-5,7H,6H2,1-3H3;4-7H,8H2,1-3H3;8H,4-7H2,1-3H3.

What are the key properties of 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium?

4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium has a molecular weight of 1840.72 g/mol, XLogP of 30.56, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-tert-butyloxane;2-(1,1-difluoro-3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)-3,3-difluoropiperidine;4-(3,3-dimethylbutyl)piperidine;3-(2,2-dimethylpropyl)-5-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium is sourced from PubChem (CID 158127267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).