methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate

C6H8F3NO3 — CID 86634926

IUPACmethyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-10(3-6(7,8)9)4(11)5(12)13-2/h3H2,1-2H3
InChIKeyHYNJLTCLRFUFMC-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.18
Rot. Bonds1

About methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate

methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate (PubChem CID 86634926) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
PubChem CID86634926
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Namemethyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-10(3-6(7,8)9)4(11)5(12)13-2/h3H2,1-2H3
InChIKeyHYNJLTCLRFUFMC-UHFFFAOYSA-N
XLogP0.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate (CID 86634926) is methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate is COC(=O)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The InChIKey is HYNJLTCLRFUFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c1-10(3-6(7,8)9)4(11)5(12)13-2/h3H2,1-2H3.
What are the key properties of methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate has a molecular weight of 199.13 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate is sourced from PubChem (CID 86634926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).