ethyl 2-(dibenzylamino)-2,2-difluoroacetate

C18H19F2NO2 — CID 118215454

IUPACethyl 2-(dibenzylamino)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19F2NO2/c1-2-23-17(22)18(19,20)21(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyGAPPBSCUMYPCIA-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.84
Rot. Bonds7

About ethyl 2-(dibenzylamino)-2,2-difluoroacetate

ethyl 2-(dibenzylamino)-2,2-difluoroacetate (PubChem CID 118215454) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is ethyl 2-(dibenzylamino)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(dibenzylamino)-2,2-difluoroacetate
PubChem CID118215454
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Nameethyl 2-(dibenzylamino)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19F2NO2/c1-2-23-17(22)18(19,20)21(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyGAPPBSCUMYPCIA-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze ethyl 2-(dibenzylamino)-2,2-difluoroacetate 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 ethyl 2-(dibenzylamino)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(dibenzylamino)-2,2-difluoroacetate (CID 118215454) is ethyl 2-(dibenzylamino)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(dibenzylamino)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(dibenzylamino)-2,2-difluoroacetate is CCOC(=O)C(F)(F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 2-(dibenzylamino)-2,2-difluoroacetate?
The InChIKey is GAPPBSCUMYPCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-2-23-17(22)18(19,20)21(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of ethyl 2-(dibenzylamino)-2,2-difluoroacetate?
ethyl 2-(dibenzylamino)-2,2-difluoroacetate has a molecular weight of 319.35 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dibenzylamino)-2,2-difluoroacetate is sourced from PubChem (CID 118215454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).