methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate

C6H9F2NO3 — CID 103514323

IUPACmethyl 2-[(2,2-difluoroacetyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C(F)F
InChIInChI=1S/C6H9F2NO3/c1-9(3-4(10)12-2)6(11)5(7)8/h5H,3H2,1-2H3
InChIKeyFVOOMHDTLVCTRX-UHFFFAOYSA-N
MW181.14 g/mol
LogP-0.12
Rot. Bonds3

About methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate

methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate (PubChem CID 103514323) has the molecular formula C6H9F2NO3 and a molecular weight of 181.14 g/mol. Its IUPAC name is methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,2-difluoroacetyl)-methylamino]acetate
PubChem CID103514323
Molecular FormulaC6H9F2NO3
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Namemethyl 2-[(2,2-difluoroacetyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C(F)F
InChIInChI=1S/C6H9F2NO3/c1-9(3-4(10)12-2)6(11)5(7)8/h5H,3H2,1-2H3
InChIKeyFVOOMHDTLVCTRX-UHFFFAOYSA-N
XLogP-0.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2,2-difluoroacetyl)-methylamino]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-[(2,2-difluoroacetyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate (CID 103514323) is methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate is COC(=O)CN(C)C(=O)C(F)F.
What is the InChIKey of methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate?
The InChIKey is FVOOMHDTLVCTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO3/c1-9(3-4(10)12-2)6(11)5(7)8/h5H,3H2,1-2H3.
What are the key properties of methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate?
methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate has a molecular weight of 181.14 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate is sourced from PubChem (CID 103514323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).