Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate

C₁₅H₂₈F₂N₂O₃ — CID 103082623

About Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate

Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate (PubChem CID 103082623) has the molecular formula C₁₅H₂₈F₂N₂O₃ and a molecular weight of 322.40 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate
• PubChem CID: 103082623
• Molecular Formula: C₁₅H₂₈F₂N₂O₃
• Molecular Weight: 322.40 g/mol
• Exact Mass: 322.21
• IUPAC Name: tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCC(NCCOCC(F)F)CC1
• InChI: InChI=1S/C15H28F2N2O3/c1-15(2,3)22-14(20)19-12-6-4-11(5-7-12)18-8-9-21-10-13(16)17/h11-13,18H,4-10H2,1-3H3,(H,19,20)
• InChIKey: JAFMEGNAJLZFAL-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 59.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.40
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate?

The IUPAC name of Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate (CID 103082623) is tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate.

What is the SMILES notation for Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate?

The canonical SMILES for Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCCOCC(F)F)CC1.

What is the InChIKey of Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate?

The InChIKey is JAFMEGNAJLZFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O3/c1-15(2,3)22-14(20)19-12-6-4-11(5-7-12)18-8-9-21-10-13(16)17/h11-13,18H,4-10H2,1-3H3,(H,19,20).

What are the key properties of Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate?

Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate has a molecular weight of 322.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103082623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103082623 — identifiers, structure, computed properties (public domain)

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