2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid

C10H16F3NO3 — CID 83080718

IUPAC2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCOC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-2-9(8(15)16)4-3-5-14(9)6-7-17-10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyOQPCRKJLSAYFGE-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.85
Rot. Bonds5

About 2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 83080718) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID83080718
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCOC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-2-9(8(15)16)4-3-5-14(9)6-7-17-10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyOQPCRKJLSAYFGE-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic 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-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid (CID 83080718) is 2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CCOC(F)(F)F.
What is the InChIKey of 2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OQPCRKJLSAYFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-9(8(15)16)4-3-5-14(9)6-7-17-10(11,12)13/h2-7H2,1H3,(H,15,16).
What are the key properties of 2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).