2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid

C7H9F3N2O5 — CID 61328889

IUPAC2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C7H9F3N2O5/c8-7(9,10)3-11-6(16)12-4(13)1-17-2-5(14)15/h1-3H2,(H,14,15)(H2,11,12,13,16)
InChIKeyYYVXSQKIEJQOOM-UHFFFAOYSA-N
MW258.15 g/mol
LogP-0.52
Rot. Bonds5

About 2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid

2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid (PubChem CID 61328889) has the molecular formula C7H9F3N2O5 and a molecular weight of 258.15 g/mol. Its IUPAC name is 2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid
PubChem CID61328889
Molecular FormulaC7H9F3N2O5
Molecular Weight258.15 g/mol
Exact Mass258.05
IUPAC Name2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C7H9F3N2O5/c8-7(9,10)3-11-6(16)12-4(13)1-17-2-5(14)15/h1-3H2,(H,14,15)(H2,11,12,13,16)
InChIKeyYYVXSQKIEJQOOM-UHFFFAOYSA-N
XLogP-0.52
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid (CID 61328889) is 2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid is O=C(O)COCC(=O)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is YYVXSQKIEJQOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O5/c8-7(9,10)3-11-6(16)12-4(13)1-17-2-5(14)15/h1-3H2,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid?
2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 258.15 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 61328889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).