2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid

C7H10F3NO4 — CID 61327447

IUPAC2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESCN(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C7H10F3NO4/c1-11(4-7(8,9)10)5(12)2-15-3-6(13)14/h2-4H2,1H3,(H,13,14)
InChIKeyDLGAEPYMHMHFPP-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.11
Rot. Bonds5

About 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid

2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61327447) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61327447
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESCN(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C7H10F3NO4/c1-11(4-7(8,9)10)5(12)2-15-3-6(13)14/h2-4H2,1H3,(H,13,14)
InChIKeyDLGAEPYMHMHFPP-UHFFFAOYSA-N
XLogP0.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (CID 61327447) is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is CN(CC(F)(F)F)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is DLGAEPYMHMHFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4/c1-11(4-7(8,9)10)5(12)2-15-3-6(13)14/h2-4H2,1H3,(H,13,14).
What are the key properties of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 229.15 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).