methyl 2-[2,2-difluoroethyl(propyl)amino]acetate

C8H15F2NO2 — CID 62011160

IUPACmethyl 2-[2,2-difluoroethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)CC(F)F
InChIInChI=1S/C8H15F2NO2/c1-3-4-11(5-7(9)10)6-8(12)13-2/h7H,3-6H2,1-2H3
InChIKeyLBPPDIUKSOETEJ-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.14
Rot. Bonds6

About methyl 2-[2,2-difluoroethyl(propyl)amino]acetate

methyl 2-[2,2-difluoroethyl(propyl)amino]acetate (PubChem CID 62011160) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is methyl 2-[2,2-difluoroethyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2,2-difluoroethyl(propyl)amino]acetate
PubChem CID62011160
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Namemethyl 2-[2,2-difluoroethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)CC(F)F
InChIInChI=1S/C8H15F2NO2/c1-3-4-11(5-7(9)10)6-8(12)13-2/h7H,3-6H2,1-2H3
InChIKeyLBPPDIUKSOETEJ-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2,2-difluoroethyl(propyl)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-[2,2-difluoroethyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[2,2-difluoroethyl(propyl)amino]acetate (CID 62011160) is methyl 2-[2,2-difluoroethyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[2,2-difluoroethyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[2,2-difluoroethyl(propyl)amino]acetate is CCCN(CC(=O)OC)CC(F)F.
What is the InChIKey of methyl 2-[2,2-difluoroethyl(propyl)amino]acetate?
The InChIKey is LBPPDIUKSOETEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-3-4-11(5-7(9)10)6-8(12)13-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-[2,2-difluoroethyl(propyl)amino]acetate?
methyl 2-[2,2-difluoroethyl(propyl)amino]acetate has a molecular weight of 195.21 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,2-difluoroethyl(propyl)amino]acetate is sourced from PubChem (CID 62011160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).