2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol

C₁₁H₂₀F₃NO₂ — CID 64802823

About 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol

2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol (PubChem CID 64802823) has the molecular formula C₁₁H₂₀F₃NO₂ and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol.

Molecular Properties

• Compound Name: 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
• PubChem CID: 64802823
• Molecular Formula: C₁₁H₂₀F₃NO₂
• Molecular Weight: 255.28 g/mol
• Exact Mass: 255.14
• IUPAC Name: 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
• SMILES: CC(CO)(CCCOCC(F)(F)F)NC1CC1
• InChI: InChI=1S/C11H20F3NO2/c1-10(7-16,15-9-3-4-9)5-2-6-17-8-11(12,13)14/h9,15-16H,2-8H2,1H3
• InChIKey: VLDLJBNEPZJBBV-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.28
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol?

The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol (CID 64802823) is 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol.

What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol?

The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol is CC(CO)(CCCOCC(F)(F)F)NC1CC1.

What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol?

The InChIKey is VLDLJBNEPZJBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-10(7-16,15-9-3-4-9)5-2-6-17-8-11(12,13)14/h9,15-16H,2-8H2,1H3.

What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol?

2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol is sourced from PubChem (CID 64802823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 64802823 — identifiers, structure, computed properties (public domain)

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