2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

C11H17F3N2O — CID 114489809

IUPAC2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCNC(C)(C)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c1-10(2,15-3)9(17)16-6-4-8(5-7-16)11(12,13)14/h4,15H,5-7H2,1-3H3
InChIKeyDSGWMSGXVZQFOZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.71
Rot. Bonds2

About 2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 114489809) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID114489809
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCNC(C)(C)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c1-10(2,15-3)9(17)16-6-4-8(5-7-16)11(12,13)14/h4,15H,5-7H2,1-3H3
InChIKeyDSGWMSGXVZQFOZ-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.71
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 2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 114489809) is 2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is CNC(C)(C)C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is DSGWMSGXVZQFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-10(2,15-3)9(17)16-6-4-8(5-7-16)11(12,13)14/h4,15H,5-7H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 250.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 114489809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).