ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate

C15H20F3NO2 — CID 135003126

IUPACethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(c1ccc(C(F)(F)F)cc1)N(CC)CC
InChIInChI=1S/C15H20F3NO2/c1-4-19(5-2)13(14(20)21-6-3)11-7-9-12(10-8-11)15(16,17)18/h7-10,13H,4-6H2,1-3H3
InChIKeyIWINXAMJJWOVLS-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.65
Rot. Bonds6

About ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate

ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 135003126) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID135003126
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Nameethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(c1ccc(C(F)(F)F)cc1)N(CC)CC
InChIInChI=1S/C15H20F3NO2/c1-4-19(5-2)13(14(20)21-6-3)11-7-9-12(10-8-11)15(16,17)18/h7-10,13H,4-6H2,1-3H3
InChIKeyIWINXAMJJWOVLS-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]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-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate (CID 135003126) is ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate is CCOC(=O)C(c1ccc(C(F)(F)F)cc1)N(CC)CC.
What is the InChIKey of ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is IWINXAMJJWOVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-4-19(5-2)13(14(20)21-6-3)11-7-9-12(10-8-11)15(16,17)18/h7-10,13H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate?
ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 303.32 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)-2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 135003126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).