2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid

C11H11F4NO3 — CID 103290156

IUPAC2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid
SMILESCNC(C)(COc1c(F)c(F)cc(F)c1F)C(=O)O
InChIInChI=1S/C11H11F4NO3/c1-11(16-2,10(17)18)4-19-9-7(14)5(12)3-6(13)8(9)15/h3,16H,4H2,1-2H3,(H,17,18)
InChIKeyYRYJBSRMDSZRKW-UHFFFAOYSA-N
MW281.20 g/mol
LogP1.68
Rot. Bonds5

About 2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid

2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid (PubChem CID 103290156) has the molecular formula C11H11F4NO3 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid
PubChem CID103290156
Molecular FormulaC11H11F4NO3
Molecular Weight281.20 g/mol
Exact Mass281.07
IUPAC Name2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid
SMILESCNC(C)(COc1c(F)c(F)cc(F)c1F)C(=O)O
InChIInChI=1S/C11H11F4NO3/c1-11(16-2,10(17)18)4-19-9-7(14)5(12)3-6(13)8(9)15/h3,16H,4H2,1-2H3,(H,17,18)
InChIKeyYRYJBSRMDSZRKW-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid (CID 103290156) is 2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid is CNC(C)(COc1c(F)c(F)cc(F)c1F)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid?
The InChIKey is YRYJBSRMDSZRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO3/c1-11(16-2,10(17)18)4-19-9-7(14)5(12)3-6(13)8(9)15/h3,16H,4H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid?
2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid has a molecular weight of 281.20 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid is sourced from PubChem (CID 103290156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).