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

C₁₅H₂₇F₃N₂O₃ — CID 103715535

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

Tert-butyl N-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate (PubChem CID 103715535) has the molecular formula C₁₅H₂₇F₃N₂O₃ and a molecular weight of 340.39 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: Tert-butyl N-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
• PubChem CID: 103715535
• Molecular Formula: C₁₅H₂₇F₃N₂O₃
• Molecular Weight: 340.39 g/mol
• Exact Mass: 340.20
• IUPAC Name: tert-butyl N-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCC(NCCOCC(F)(F)F)CC1
• InChI: InChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(21)20-12-6-4-11(5-7-12)19-8-9-22-10-15(16,17)18/h11-12,19H,4-10H2,1-3H3,(H,20,21)
• InChIKey: DOTYZBYIBWRTQZ-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 59.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.39
LogP ≤ 5	2.99
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-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate?

The IUPAC name of Tert-butyl N-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate (CID 103715535) is tert-butyl N-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate.

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

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

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

The InChIKey is DOTYZBYIBWRTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(21)20-12-6-4-11(5-7-12)19-8-9-22-10-15(16,17)18/h11-12,19H,4-10H2,1-3H3,(H,20,21).

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

Tert-butyl N-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate has a molecular weight of 340.39 g/mol, XLogP of 2.99, 6 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-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103715535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103715535 — identifiers, structure, computed properties (public domain)

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