methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate

C9H8F5NO6 — CID 91694168

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate
SMILESCOC(=O)CN(C(=O)C(=O)OC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F5NO6/c1-20-4(16)3-15(5(17)6(18)21-2)7(19)8(10,11)9(12,13)14/h3H2,1-2H3
InChIKeyGNGKILXVVGQETO-UHFFFAOYSA-N
MW321.15 g/mol
LogP-0.11
Rot. Bonds3

About methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate

methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate (PubChem CID 91694168) has the molecular formula C9H8F5NO6 and a molecular weight of 321.15 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate
PubChem CID91694168
Molecular FormulaC9H8F5NO6
Molecular Weight321.15 g/mol
Exact Mass321.03
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate
SMILESCOC(=O)CN(C(=O)C(=O)OC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F5NO6/c1-20-4(16)3-15(5(17)6(18)21-2)7(19)8(10,11)9(12,13)14/h3H2,1-2H3
InChIKeyGNGKILXVVGQETO-UHFFFAOYSA-N
XLogP-0.11
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate with MolForge

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Related Compounds

Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
Dimethyloxallylglycine, N-heptafluorobutyryl-
CID 91694252
Methyl 2-(methyl(2,2,2-trifluoroethyl)amino)-2-oxoacetate
CID 86634926
Methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 89692910
CF3Ocf2CF2CF2ocf2C(O)N(CH3)CH2C(O)O-K+
CID 131731153
[2,2,2-Trifluoro-1-[(2-methoxy-2-oxoacetyl)-methylamino]ethyl] 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 140197734
2-[2-[Methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate
CID 140799711
1-Ethoxypropane;2,2,2-trifluoroethyl 2-[ethyl(2-methylpropyl)amino]-2-oxoacetate
CID 169114284
Methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 43431625
Methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 55208202
Methyl 3-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 60795256
Methyl 2-[ethyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 61383468

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate (CID 91694168) is methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate is COC(=O)CN(C(=O)C(=O)OC)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate?
The InChIKey is GNGKILXVVGQETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO6/c1-20-4(16)3-15(5(17)6(18)21-2)7(19)8(10,11)9(12,13)14/h3H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate has a molecular weight of 321.15 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,3,3,3-pentafluoropropanoyl)amino]-2-oxoacetate is sourced from PubChem (CID 91694168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).