1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one

C9H11F3N2O — CID 103366577

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one
SMILESNCC(Cn1ccc(=O)cc1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7(5-13)6-14-3-1-8(15)2-4-14/h1-4,7H,5-6,13H2
InChIKeyGPPMZXSAKSYLBN-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.99
Rot. Bonds3

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one (PubChem CID 103366577) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one
PubChem CID103366577
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one
SMILESNCC(Cn1ccc(=O)cc1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7(5-13)6-14-3-1-8(15)2-4-14/h1-4,7H,5-6,13H2
InChIKeyGPPMZXSAKSYLBN-UHFFFAOYSA-N
XLogP0.99
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one 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-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one (CID 103366577) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one is NCC(Cn1ccc(=O)cc1)C(F)(F)F.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one?
The InChIKey is GPPMZXSAKSYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7(5-13)6-14-3-1-8(15)2-4-14/h1-4,7H,5-6,13H2.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one has a molecular weight of 220.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridin-4-one is sourced from PubChem (CID 103366577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).