2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C12H17F3N2O2 — CID 114489867

IUPAC2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CC1CNCCO1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)9-1-4-17(5-2-9)11(18)7-10-8-16-3-6-19-10/h1,10,16H,2-8H2
InChIKeyQNRTWALGKZBXNH-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.09
Rot. Bonds2

About 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114489867) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114489867
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CC1CNCCO1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)9-1-4-17(5-2-9)11(18)7-10-8-16-3-6-19-10/h1,10,16H,2-8H2
InChIKeyQNRTWALGKZBXNH-UHFFFAOYSA-N
XLogP1.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone 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

4-amino-3-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 113782018
2-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489787
3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489841
morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489846
morpholin-2-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489929
4-amino-3-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 103156816
N-(3-methylbut-2-enyl)-2-morpholin-2-ylacetamide
CID 106187243
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone
CID 106313942
4-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 106314069
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-2-ylethanone
CID 113581454
1-(3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone
CID 114409009
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone
CID 114409408

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114489867) is 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is O=C(CC1CNCCO1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is QNRTWALGKZBXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c13-12(14,15)9-1-4-17(5-2-9)11(18)7-10-8-16-3-6-19-10/h1,10,16H,2-8H2.
What are the key properties of 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 278.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114489867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).