Tert-butyl 2-(2,2-difluoroethylideneamino)acetate

C₈H₁₃F₂NO₂ — CID 156724230

About Tert-butyl 2-(2,2-difluoroethylideneamino)acetate

Tert-butyl 2-(2,2-difluoroethylideneamino)acetate (PubChem CID 156724230) has the molecular formula C₈H₁₃F₂NO₂ and a molecular weight of 193.19 g/mol. Its IUPAC name is tert-butyl 2-(2,2-difluoroethylideneamino)acetate.

Molecular Properties

• Compound Name: Tert-butyl 2-(2,2-difluoroethylideneamino)acetate
• PubChem CID: 156724230
• Molecular Formula: C₈H₁₃F₂NO₂
• Molecular Weight: 193.19 g/mol
• Exact Mass: 193.09
• IUPAC Name: tert-butyl 2-(2,2-difluoroethylideneamino)acetate
• SMILES: CC(C)(C)OC(=O)C/N=C/C(F)F
• InChI: InChI=1S/C8H13F2NO2/c1-8(2,3)13-7(12)5-11-4-6(9)10/h4,6H,5H2,1-3H3/b11-4+
• InChIKey: MTGGBXQZFWHQGT-NYYWCZLTSA-N
• XLogP: 1.66
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.19
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 2-(2,2-difluoroethylideneamino)acetate?

The IUPAC name of Tert-butyl 2-(2,2-difluoroethylideneamino)acetate (CID 156724230) is tert-butyl 2-(2,2-difluoroethylideneamino)acetate.

What is the SMILES notation for Tert-butyl 2-(2,2-difluoroethylideneamino)acetate?

The canonical SMILES for Tert-butyl 2-(2,2-difluoroethylideneamino)acetate is CC(C)(C)OC(=O)C/N=C/C(F)F.

What is the InChIKey of Tert-butyl 2-(2,2-difluoroethylideneamino)acetate?

The InChIKey is MTGGBXQZFWHQGT-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-8(2,3)13-7(12)5-11-4-6(9)10/h4,6H,5H2,1-3H3/b11-4+.

What are the key properties of Tert-butyl 2-(2,2-difluoroethylideneamino)acetate?

Tert-butyl 2-(2,2-difluoroethylideneamino)acetate has a molecular weight of 193.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 2-(2,2-difluoroethylideneamino)acetate is sourced from PubChem (CID 156724230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156724230 — identifiers, structure, computed properties (public domain)

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