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

C10H13F3N2O — CID 103366585

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one
SMILESCc1cccn(CC(CN)C(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O/c1-7-3-2-4-15(9(7)16)6-8(5-14)10(11,12)13/h2-4,8H,5-6,14H2,1H3
InChIKeyQGCCCJWWONLMAP-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.29
Rot. Bonds3

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

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one (PubChem CID 103366585) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one
PubChem CID103366585
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one
SMILESCc1cccn(CC(CN)C(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O/c1-7-3-2-4-15(9(7)16)6-8(5-14)10(11,12)13/h2-4,8H,5-6,14H2,1H3
InChIKeyQGCCCJWWONLMAP-UHFFFAOYSA-N
XLogP1.29
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Aminopropyl)-1,2-dihydropyridin-2-one
CID 572935
3-[2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]propanethioamide
CID 2746181
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
1-Propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 59225358
1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide
CID 66910956
3-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 67345591
3-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]propylcarbamic acid
CID 68896418
1-(2-Methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 70905371
1-(3-Aminopropyl)-5-fluoro-1,2-dihydropyridin-2-one
CID 82146483
1-[3-(Chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one
CID 89092388
1-Propyl-3-(trifluoromethyl)pyridin-2-one
CID 91290615
1-(2,2-Difluoroethyl)-3-methylpyridin-2-one
CID 115978281

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one (CID 103366585) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one is Cc1cccn(CC(CN)C(F)(F)F)c1=O.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one?
The InChIKey is QGCCCJWWONLMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7-3-2-4-15(9(7)16)6-8(5-14)10(11,12)13/h2-4,8H,5-6,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 1.29, 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]-3-methylpyridin-2-one is sourced from PubChem (CID 103366585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).