1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine

C8H15F3N2 — CID 63898474

IUPAC1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine
SMILESCC(C)N1CCC(N)(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-6(2)13-4-3-7(12,5-13)8(9,10)11/h6H,3-5,12H2,1-2H3
InChIKeyWPHMXZPNJNGWBV-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.36
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine

1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 63898474) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID63898474
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine
SMILESCC(C)N1CCC(N)(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-6(2)13-4-3-7(12,5-13)8(9,10)11/h6H,3-5,12H2,1-2H3
InChIKeyWPHMXZPNJNGWBV-UHFFFAOYSA-N
XLogP1.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-yl-3-(trifluoromethyl)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 1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine (CID 63898474) is 1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine is CC(C)N1CCC(N)(C(F)(F)F)C1.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is WPHMXZPNJNGWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-6(2)13-4-3-7(12,5-13)8(9,10)11/h6H,3-5,12H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine?
1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 196.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 63898474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).