1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

C12H17F3N2O2 — CID 81318595

IUPAC1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCOCC(C)NCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H17F3N2O2/c1-9(8-19-2)16-6-7-17-10(12(13,14)15)4-3-5-11(17)18/h3-5,9,16H,6-8H2,1-2H3
InChIKeyCPEJEOYWADLNRP-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.49
Rot. Bonds6

About 1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81318595) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81318595
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCOCC(C)NCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H17F3N2O2/c1-9(8-19-2)16-6-7-17-10(12(13,14)15)4-3-5-11(17)18/h3-5,9,16H,6-8H2,1-2H3
InChIKeyCPEJEOYWADLNRP-UHFFFAOYSA-N
XLogP1.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81318595) is 1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is COCC(C)NCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is CPEJEOYWADLNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-9(8-19-2)16-6-7-17-10(12(13,14)15)4-3-5-11(17)18/h3-5,9,16H,6-8H2,1-2H3.
What are the key properties of 1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 278.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxypropan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81318595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).