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

C13H19F3N2O2 — CID 114489794

IUPAC[4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O2/c1-2-17-11-8-20-7-10(11)12(19)18-5-3-9(4-6-18)13(14,15)16/h3,10-11,17H,2,4-8H2,1H3
InChIKeyVZFLEKVHQNZTMR-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.33
Rot. Bonds3

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

[4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489794) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489794
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name[4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O2/c1-2-17-11-8-20-7-10(11)12(19)18-5-3-9(4-6-18)13(14,15)16/h3,10-11,17H,2,4-8H2,1H3
InChIKeyVZFLEKVHQNZTMR-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489794) is [4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CCNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is VZFLEKVHQNZTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-2-17-11-8-20-7-10(11)12(19)18-5-3-9(4-6-18)13(14,15)16/h3,10-11,17H,2,4-8H2,1H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 292.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).