ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate

C20H23F2NO2 — CID 21019927

IUPACethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H23F2NO2/c1-3-25-20(24)14-23(2)11-10-19(15-6-4-8-17(21)12-15)16-7-5-9-18(22)13-16/h4-9,12-13,19H,3,10-11,14H2,1-2H3
InChIKeyKPNGLGWXUMHHLL-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.98
Rot. Bonds8

About ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate

ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate (PubChem CID 21019927) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate
PubChem CID21019927
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nameethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H23F2NO2/c1-3-25-20(24)14-23(2)11-10-19(15-6-4-8-17(21)12-15)16-7-5-9-18(22)13-16/h4-9,12-13,19H,3,10-11,14H2,1-2H3
InChIKeyKPNGLGWXUMHHLL-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[3,3-bis(3-fluorophenyl)propyl-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 ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate?
The IUPAC name of ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate (CID 21019927) is ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate is CCOC(=O)CN(C)CCC(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate?
The InChIKey is KPNGLGWXUMHHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-3-25-20(24)14-23(2)11-10-19(15-6-4-8-17(21)12-15)16-7-5-9-18(22)13-16/h4-9,12-13,19H,3,10-11,14H2,1-2H3.
What are the key properties of ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate?
ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate has a molecular weight of 347.41 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate is sourced from PubChem (CID 21019927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).