N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine

C6H11F3N2O — CID 82710642

IUPACN-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
SMILESFC(F)(F)CONC1CCNC1
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)4-12-11-5-1-2-10-3-5/h5,10-11H,1-4H2
InChIKeySUOOIPMGFPRKPJ-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.43
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine

N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine (PubChem CID 82710642) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
PubChem CID82710642
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC NameN-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
SMILESFC(F)(F)CONC1CCNC1
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)4-12-11-5-1-2-10-3-5/h5,10-11H,1-4H2
InChIKeySUOOIPMGFPRKPJ-UHFFFAOYSA-N
XLogP0.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,2,2-trifluoroethoxy)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 N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine (CID 82710642) is N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine is FC(F)(F)CONC1CCNC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
The InChIKey is SUOOIPMGFPRKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c7-6(8,9)4-12-11-5-1-2-10-3-5/h5,10-11H,1-4H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine has a molecular weight of 184.16 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine is sourced from PubChem (CID 82710642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).