N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine

C₁₀H₁₉F₂NO — CID 103075029

About N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine (PubChem CID 103075029) has the molecular formula C₁₀H₁₉F₂NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine.

Molecular Properties

• Compound Name: N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
• PubChem CID: 103075029
• Molecular Formula: C₁₀H₁₉F₂NO
• Molecular Weight: 207.26 g/mol
• Exact Mass: 207.14
• IUPAC Name: N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
• SMILES: C=C(CNC(C)(C)C)COCC(F)F
• InChI: InChI=1S/C10H19F2NO/c1-8(5-13-10(2,3)4)6-14-7-9(11)12/h9,13H,1,5-7H2,2-4H3
• InChIKey: FGMZHBAZTGRNPE-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.26
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine?

The IUPAC name of N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine (CID 103075029) is N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine.

What is the SMILES notation for N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine?

The canonical SMILES for N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCC(F)F.

What is the InChIKey of N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine?

The InChIKey is FGMZHBAZTGRNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(5-13-10(2,3)4)6-14-7-9(11)12/h9,13H,1,5-7H2,2-4H3.

What are the key properties of N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine?

N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103075029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103075029 — identifiers, structure, computed properties (public domain)

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