2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile

C₉H₁₃F₃N₂O — CID 63906291

About 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile

2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile (PubChem CID 63906291) has the molecular formula C₉H₁₃F₃N₂O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile.

Molecular Properties

• Compound Name: 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
• PubChem CID: 63906291
• Molecular Formula: C₉H₁₃F₃N₂O
• Molecular Weight: 222.21 g/mol
• Exact Mass: 222.10
• IUPAC Name: 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
• SMILES: CNC(C#N)(COCC(F)(F)F)C1CC1
• InChI: InChI=1S/C9H13F3N2O/c1-14-8(4-13,7-2-3-7)5-15-6-9(10,11)12/h7,14H,2-3,5-6H2,1H3
• InChIKey: ZNVGLVHOJDMSSC-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 45.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.21
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?

The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile (CID 63906291) is 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile.

What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?

The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile is CNC(C#N)(COCC(F)(F)F)C1CC1.

What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?

The InChIKey is ZNVGLVHOJDMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-14-8(4-13,7-2-3-7)5-15-6-9(10,11)12/h7,14H,2-3,5-6H2,1H3.

What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile?

2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile has a molecular weight of 222.21 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile is sourced from PubChem (CID 63906291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63906291 — identifiers, structure, computed properties (public domain)

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