N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C11H13F3N2O — CID 66329642

IUPACN-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CCCO2)c1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-15-10(6-8)16-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyOXODCHOFKMZVIX-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.69
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66329642) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66329642
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CCCO2)c1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-15-10(6-8)16-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyOXODCHOFKMZVIX-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

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 66329642) is N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NCC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OXODCHOFKMZVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-15-10(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)-4-(trifluoromethyl)pyridin-2-amine?
N-(oxolan-2-ylmethyl)-4-(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)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66329642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).