1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C10H15F3N2O — CID 106313666

IUPAC1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1=CCCN(C(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O/c1-8-3-2-4-15(6-8)9(16)5-14-7-10(11,12)13/h3,14H,2,4-7H2,1H3
InChIKeyGYERFIBSPLSTEB-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.32
Rot. Bonds3

About 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 106313666) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID106313666
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1=CCCN(C(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O/c1-8-3-2-4-15(6-8)9(16)5-14-7-10(11,12)13/h3,14H,2,4-7H2,1H3
InChIKeyGYERFIBSPLSTEB-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 106313666) is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CC1=CCCN(C(=O)CNCC(F)(F)F)C1.
What is the InChIKey of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is GYERFIBSPLSTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-8-3-2-4-15(6-8)9(16)5-14-7-10(11,12)13/h3,14H,2,4-7H2,1H3.
What are the key properties of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 236.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 106313666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).