3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine

C₉H₁₆F₃NO — CID 63935673

About 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine

3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine (PubChem CID 63935673) has the molecular formula C₉H₁₆F₃NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine
• PubChem CID: 63935673
• Molecular Formula: C₉H₁₆F₃NO
• Molecular Weight: 211.23 g/mol
• Exact Mass: 211.12
• IUPAC Name: 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine
• SMILES: CNC(CC(F)(F)F)C1CCOCC1
• InChI: InChI=1S/C9H16F3NO/c1-13-8(6-9(10,11)12)7-2-4-14-5-3-7/h7-8,13H,2-6H2,1H3
• InChIKey: UOROZMJGHWEJHQ-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.23
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine?

The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine (CID 63935673) is 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine.

What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine?

The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine is CNC(CC(F)(F)F)C1CCOCC1.

What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine?

The InChIKey is UOROZMJGHWEJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-8(6-9(10,11)12)7-2-4-14-5-3-7/h7-8,13H,2-6H2,1H3.

What are the key properties of 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine?

3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 63935673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63935673 — identifiers, structure, computed properties (public domain)

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