methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid

C9H16F3NO6 — CID 175737005

IUPACmethyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)COCCOCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO4.C2HF3O2/c1-10-7(9)6-12-5-4-11-3-2-8;3-2(4,5)1(6)7/h2-6,8H2,1H3;(H,6,7)
InChIKeyWGAZIQOFVHAEAY-UHFFFAOYSA-N
MW291.22 g/mol
LogP-0.22
Rot. Bonds7

About methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid

methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid (PubChem CID 175737005) has the molecular formula C9H16F3NO6 and a molecular weight of 291.22 g/mol. Its IUPAC name is methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid
PubChem CID175737005
Molecular FormulaC9H16F3NO6
Molecular Weight291.22 g/mol
Exact Mass291.09
IUPAC Namemethyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)COCCOCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO4.C2HF3O2/c1-10-7(9)6-12-5-4-11-3-2-8;3-2(4,5)1(6)7/h2-6,8H2,1H3;(H,6,7)
InChIKeyWGAZIQOFVHAEAY-UHFFFAOYSA-N
XLogP-0.22
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid (CID 175737005) is methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid is COC(=O)COCCOCCN.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid?
The InChIKey is WGAZIQOFVHAEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4.C2HF3O2/c1-10-7(9)6-12-5-4-11-3-2-8;3-2(4,5)1(6)7/h2-6,8H2,1H3;(H,6,7).
What are the key properties of methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid?
methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid has a molecular weight of 291.22 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175737005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).