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

C12H17F3N2O2 — CID 114489818

IUPAC[4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O2/c1-16-10-7-19-6-9(10)11(18)17-4-2-8(3-5-17)12(13,14)15/h2,9-10,16H,3-7H2,1H3
InChIKeyDFGCZGNGTUQFNJ-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.94
Rot. Bonds2

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

[4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489818) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489818
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name[4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O2/c1-16-10-7-19-6-9(10)11(18)17-4-2-8(3-5-17)12(13,14)15/h2,9-10,16H,3-7H2,1H3
InChIKeyDFGCZGNGTUQFNJ-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489818) is [4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CNC1COCC1C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is DFGCZGNGTUQFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-16-10-7-19-6-9(10)11(18)17-4-2-8(3-5-17)12(13,14)15/h2,9-10,16H,3-7H2,1H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 278.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).