1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone

C9H12F3NO — CID 163630227

IUPAC1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESCCC1=CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO/c1-2-7-3-5-13(6-4-7)8(14)9(10,11)12/h3H,2,4-6H2,1H3
InChIKeyHVLMGSZBAFMOJT-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.12
Rot. Bonds1

About 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone

1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 163630227) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
PubChem CID163630227
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESCCC1=CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO/c1-2-7-3-5-13(6-4-7)8(14)9(10,11)12/h3H,2,4-6H2,1H3
InChIKeyHVLMGSZBAFMOJT-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperidine, 1-acetyl-4-ethylidene-
CID 45085969
1-(5-Ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one
CID 86093580
2,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 115772182
3-oxo-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanenitrile
CID 114393287
N-cyclohex-2-en-1-yl-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 11042638
2,2,2-trifluoro-N-methyl-N-(6-methylhept-5-en-2-yl)acetamide
CID 121221428
(E)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbut-2-en-1-one
CID 6372485
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propane-1,2-dione
CID 71114237
2-(1-(2,2-Difluoropropanoyl)piperidin-4-ylidene)acetonitrile
CID 90459366
2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 106316942
2,2,2-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 115768355
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-one
CID 121450225

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone (CID 163630227) is 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone is CCC1=CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is HVLMGSZBAFMOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-2-7-3-5-13(6-4-7)8(14)9(10,11)12/h3H,2,4-6H2,1H3.
What are the key properties of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone?
1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 207.19 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 163630227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).