N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine

C12H21F3N2O — CID 114272033

IUPACN-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine
SMILESFC(F)(F)C1CCN(CCNC2CCOCC2)C1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)10-1-5-17(9-10)6-4-16-11-2-7-18-8-3-11/h10-11,16H,1-9H2
InChIKeyQIARUHHPHIUOHL-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.64
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine

N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine (PubChem CID 114272033) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine
PubChem CID114272033
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine
SMILESFC(F)(F)C1CCN(CCNC2CCOCC2)C1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)10-1-5-17(9-10)6-4-16-11-2-7-18-8-3-11/h10-11,16H,1-9H2
InChIKeyQIARUHHPHIUOHL-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-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-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine (CID 114272033) is N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine is FC(F)(F)C1CCN(CCNC2CCOCC2)C1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine?
The InChIKey is QIARUHHPHIUOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)10-1-5-17(9-10)6-4-16-11-2-7-18-8-3-11/h10-11,16H,1-9H2.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine?
N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine has a molecular weight of 266.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]oxan-4-amine is sourced from PubChem (CID 114272033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).