N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide

C₆H₁₁F₃N₂O₂ — CID 156761458

About N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide

N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 156761458) has the molecular formula C₆H₁₁F₃N₂O₂ and a molecular weight of 200.16 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide
• PubChem CID: 156761458
• Molecular Formula: C₆H₁₁F₃N₂O₂
• Molecular Weight: 200.16 g/mol
• Exact Mass: 200.08
• IUPAC Name: N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide
• SMILES: COCC(CN)NC(=O)C(F)(F)F
• InChI: InChI=1S/C6H11F3N2O2/c1-13-3-4(2-10)11-5(12)6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12)
• InChIKey: ROMIKETVBBMJPQ-UHFFFAOYSA-N
• XLogP: -0.36
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.16
LogP ≤ 5	-0.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide?

The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide (CID 156761458) is N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide?

The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide is COCC(CN)NC(=O)C(F)(F)F.

What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide?

The InChIKey is ROMIKETVBBMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-13-3-4(2-10)11-5(12)6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12).

What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide?

N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 200.16 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 156761458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156761458 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.