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

C8H13F2NO2 — CID 156724230

IUPACtert-butyl 2-(2,2-difluoroethylideneamino)acetate
SMILESCC(C)(C)OC(=O)C/N=C/C(F)F
InChIInChI=1S/C8H13F2NO2/c1-8(2,3)13-7(12)5-11-4-6(9)10/h4,6H,5H2,1-3H3/b11-4+
InChIKeyMTGGBXQZFWHQGT-NYYWCZLTSA-N
MW193.19 g/mol
LogP1.66
Rot. Bonds3

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 Nametert-butyl 2-(2,2-difluoroethylideneamino)acetate
PubChem CID156724230
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Nametert-butyl 2-(2,2-difluoroethylideneamino)acetate
SMILESCC(C)(C)OC(=O)C/N=C/C(F)F
InChIInChI=1S/C8H13F2NO2/c1-8(2,3)13-7(12)5-11-4-6(9)10/h4,6H,5H2,1-3H3/b11-4+
InChIKeyMTGGBXQZFWHQGT-NYYWCZLTSA-N
XLogP1.66
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).