methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate

C7H12F3NO2 — CID 60698120

IUPACmethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate
SMILESCOC(=O)CN(C)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-11(5-6(12)13-2)4-3-7(8,9)10/h3-5H2,1-2H3
InChIKeyLHBJUIKLFKXRHJ-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.04
Rot. Bonds4

About methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate

methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate (PubChem CID 60698120) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate
PubChem CID60698120
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Namemethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate
SMILESCOC(=O)CN(C)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-11(5-6(12)13-2)4-3-7(8,9)10/h3-5H2,1-2H3
InChIKeyLHBJUIKLFKXRHJ-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate (CID 60698120) is methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate is COC(=O)CN(C)CCC(F)(F)F.
What is the InChIKey of methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate?
The InChIKey is LHBJUIKLFKXRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-11(5-6(12)13-2)4-3-7(8,9)10/h3-5H2,1-2H3.
What are the key properties of methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate?
methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate has a molecular weight of 199.17 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate is sourced from PubChem (CID 60698120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).