1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one

C14H19F3N2O2 — CID 81310745

IUPAC1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCC(NCCn1c(C(F)(F)F)cccc1=O)C1CCCO1
InChIInChI=1S/C14H19F3N2O2/c1-10(11-4-3-9-21-11)18-7-8-19-12(14(15,16)17)5-2-6-13(19)20/h2,5-6,10-11,18H,3-4,7-9H2,1H3
InChIKeyWDGGJKOBRVVWGR-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81310745) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81310745
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCC(NCCn1c(C(F)(F)F)cccc1=O)C1CCCO1
InChIInChI=1S/C14H19F3N2O2/c1-10(11-4-3-9-21-11)18-7-8-19-12(14(15,16)17)5-2-6-13(19)20/h2,5-6,10-11,18H,3-4,7-9H2,1H3
InChIKeyWDGGJKOBRVVWGR-UHFFFAOYSA-N
XLogP2.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81310745) is 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one is CC(NCCn1c(C(F)(F)F)cccc1=O)C1CCCO1.
What is the InChIKey of 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is WDGGJKOBRVVWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(11-4-3-9-21-11)18-7-8-19-12(14(15,16)17)5-2-6-13(19)20/h2,5-6,10-11,18H,3-4,7-9H2,1H3.
What are the key properties of 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81310745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).