2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid

C18H19F2NO3 — CID 121408830

IUPAC2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19F2NO3/c19-18(20,17(22)23)24-12-11-21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,23)
InChIKeyMYXLEIDXGNMPAD-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.38
Rot. Bonds9

About 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid

2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid (PubChem CID 121408830) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid
PubChem CID121408830
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19F2NO3/c19-18(20,17(22)23)24-12-11-21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,23)
InChIKeyMYXLEIDXGNMPAD-UHFFFAOYSA-N
XLogP3.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid 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 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid?
The IUPAC name of 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid (CID 121408830) is 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid.
What is the SMILES notation for 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid?
The canonical SMILES for 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid is O=C(O)C(F)(F)OCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid?
The InChIKey is MYXLEIDXGNMPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c19-18(20,17(22)23)24-12-11-21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,23).
What are the key properties of 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid?
2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid has a molecular weight of 335.35 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dibenzylamino)ethoxy]-2,2-difluoroacetic acid is sourced from PubChem (CID 121408830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).