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

C11H15F3N2O2 — CID 114489793

IUPAC(4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)7-1-3-16(4-2-7)10(17)8-5-18-6-9(8)15/h1,8-9H,2-6,15H2
InChIKeyPAGLIEHCZVTLNA-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.68
Rot. Bonds1

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

(4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489793) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489793
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name(4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)7-1-3-16(4-2-7)10(17)8-5-18-6-9(8)15/h1,8-9H,2-6,15H2
InChIKeyPAGLIEHCZVTLNA-UHFFFAOYSA-N
XLogP0.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489793) is (4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is NC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of (4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is PAGLIEHCZVTLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)7-1-3-16(4-2-7)10(17)8-5-18-6-9(8)15/h1,8-9H,2-6,15H2.
What are the key properties of (4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 264.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).