2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid

C7H12F3NO3 — CID 61490462

IUPAC2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
SMILESCN(CCOCC(F)(F)F)CC(=O)O
InChIInChI=1S/C7H12F3NO3/c1-11(4-6(12)13)2-3-14-5-7(8,9)10/h2-5H2,1H3,(H,12,13)
InChIKeyPVKMKAPYLZVWDS-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.58
Rot. Bonds6

About 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid

2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid (PubChem CID 61490462) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
PubChem CID61490462
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
SMILESCN(CCOCC(F)(F)F)CC(=O)O
InChIInChI=1S/C7H12F3NO3/c1-11(4-6(12)13)2-3-14-5-7(8,9)10/h2-5H2,1H3,(H,12,13)
InChIKeyPVKMKAPYLZVWDS-UHFFFAOYSA-N
XLogP0.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid (CID 61490462) is 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid is CN(CCOCC(F)(F)F)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The InChIKey is PVKMKAPYLZVWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-11(4-6(12)13)2-3-14-5-7(8,9)10/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid has a molecular weight of 215.17 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 61490462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).