N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

C11H13F3N2O — CID 2990775

IUPACN-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-10(15-6-8)16-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyYUYLJMGMJXZHSV-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.69
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 2990775) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID2990775
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-10(15-6-8)16-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyYUYLJMGMJXZHSV-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-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-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 2990775) is N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCC2CCCO2)nc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YUYLJMGMJXZHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-10(15-6-8)16-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16).
What are the key properties of N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 246.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2990775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).