ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate

C7H9F4NO3 — CID 106295297

IUPACethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate
SMILESCCOC(=O)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO3/c1-2-15-5(14)4(13)12-3-7(10,11)6(8)9/h6H,2-3H2,1H3,(H,12,13)
InChIKeyHEQZPHYPDZVIQG-UHFFFAOYSA-N
MW231.14 g/mol
LogP0.57
Rot. Bonds4

About ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate

ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate (PubChem CID 106295297) has the molecular formula C7H9F4NO3 and a molecular weight of 231.14 g/mol. Its IUPAC name is ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate
PubChem CID106295297
Molecular FormulaC7H9F4NO3
Molecular Weight231.14 g/mol
Exact Mass231.05
IUPAC Nameethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate
SMILESCCOC(=O)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO3/c1-2-15-5(14)4(13)12-3-7(10,11)6(8)9/h6H,2-3H2,1H3,(H,12,13)
InChIKeyHEQZPHYPDZVIQG-UHFFFAOYSA-N
XLogP0.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528809
ethyl 2-(2,2,3,3-tetrafluoropropylamino)propanoate
CID 106291309
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
ethyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
CID 115142114
ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate
CID 155330526
2-amino-2-methyl-N-(2,2,3,3-tetrafluoropropyl)butanamide
CID 106291936
ethyl 2-oxo-2-(1,2,2-trifluoroethylamino)acetate
CID 175476798
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291651
1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea
CID 106291111
ethyl 2-oxo-2-(2-oxopropylamino)acetate
CID 57348900

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate (CID 106295297) is ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate is CCOC(=O)C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate?
The InChIKey is HEQZPHYPDZVIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO3/c1-2-15-5(14)4(13)12-3-7(10,11)6(8)9/h6H,2-3H2,1H3,(H,12,13).
What are the key properties of ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate?
ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate has a molecular weight of 231.14 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate is sourced from PubChem (CID 106295297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).