3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one

C11H15F3N2O2 — CID 107017559

IUPAC3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
SMILESNCc1cccn(CCCOCC(F)(F)F)c1=O
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)8-18-6-2-5-16-4-1-3-9(7-15)10(16)17/h1,3-4H,2,5-8,15H2
InChIKeyOYFVCVSHOWAAOA-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.28
Rot. Bonds6

About 3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one

3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one (PubChem CID 107017559) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
PubChem CID107017559
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
SMILESNCc1cccn(CCCOCC(F)(F)F)c1=O
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)8-18-6-2-5-16-4-1-3-9(7-15)10(16)17/h1,3-4H,2,5-8,15H2
InChIKeyOYFVCVSHOWAAOA-UHFFFAOYSA-N
XLogP1.28
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one (CID 107017559) is 3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one is NCc1cccn(CCCOCC(F)(F)F)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
The InChIKey is OYFVCVSHOWAAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)8-18-6-2-5-16-4-1-3-9(7-15)10(16)17/h1,3-4H,2,5-8,15H2.
What are the key properties of 3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one has a molecular weight of 264.25 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one is sourced from PubChem (CID 107017559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).