(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

C11H14F3NO — CID 166815694

IUPAC(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC1=CCN(C(=O)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H14F3NO/c1-8-2-6-15(7-3-8)9(16)10(4-5-10)11(12,13)14/h2H,3-7H2,1H3
InChIKeyFZIZOGICUXWKNL-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.51
Rot. Bonds1

About (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 166815694) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID166815694
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC1=CCN(C(=O)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H14F3NO/c1-8-2-6-15(7-3-8)9(16)10(4-5-10)11(12,13)14/h2H,3-7H2,1H3
InChIKeyFZIZOGICUXWKNL-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone (CID 166815694) is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is CC1=CCN(C(=O)C2(C(F)(F)F)CC2)CC1.
What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is FZIZOGICUXWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8-2-6-15(7-3-8)9(16)10(4-5-10)11(12,13)14/h2H,3-7H2,1H3.
What are the key properties of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone?
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 233.23 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 166815694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).