4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C8H15F3N2 — CID 130977023

IUPAC4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCCC1CN(CC(F)(F)F)CC1N
InChIInChI=1S/C8H15F3N2/c1-2-6-3-13(4-7(6)12)5-8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyGGJDUTXJILXOMY-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.22
Rot. Bonds2

About 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 130977023) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID130977023
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCCC1CN(CC(F)(F)F)CC1N
InChIInChI=1S/C8H15F3N2/c1-2-6-3-13(4-7(6)12)5-8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyGGJDUTXJILXOMY-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine 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 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 130977023) is 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CCC1CN(CC(F)(F)F)CC1N.
What is the InChIKey of 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is GGJDUTXJILXOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-2-6-3-13(4-7(6)12)5-8(9,10)11/h6-7H,2-5,12H2,1H3.
What are the key properties of 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 196.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 130977023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).