2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine

C₉H₁₆F₃NO — CID 166968804

About 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine

2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine (PubChem CID 166968804) has the molecular formula C₉H₁₆F₃NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine
• PubChem CID: 166968804
• Molecular Formula: C₉H₁₆F₃NO
• Molecular Weight: 211.23 g/mol
• Exact Mass: 211.12
• IUPAC Name: 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine
• SMILES: CN(C)C(C1CCCCO1)C(F)(F)F
• InChI: InChI=1S/C9H16F3NO/c1-13(2)8(9(10,11)12)7-5-3-4-6-14-7/h7-8H,3-6H2,1-2H3
• InChIKey: HBSIKKZTUSVTAM-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.23
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine?

The IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine (CID 166968804) is 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine.

What is the SMILES notation for 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine?

The canonical SMILES for 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine is CN(C)C(C1CCCCO1)C(F)(F)F.

What is the InChIKey of 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine?

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

What are the key properties of 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine?

2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N,N-dimethyl-1-(oxan-2-yl)ethanamine is sourced from PubChem (CID 166968804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166968804 — identifiers, structure, computed properties (public domain)

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