1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

C10H10F6N2O — CID 55171674

IUPAC1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCNCC(F)(F)F
InChIInChI=1S/C10H10F6N2O/c11-9(12,13)6-17-3-4-18-5-7(10(14,15)16)1-2-8(18)19/h1-2,5,17H,3-4,6H2
InChIKeyAVXAQJRBMBGTBF-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.02
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 55171674) has the molecular formula C10H10F6N2O and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID55171674
Molecular FormulaC10H10F6N2O
Molecular Weight288.19 g/mol
Exact Mass288.07
IUPAC Name1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCNCC(F)(F)F
InChIInChI=1S/C10H10F6N2O/c11-9(12,13)6-17-3-4-18-5-7(10(14,15)16)1-2-8(18)19/h1-2,5,17H,3-4,6H2
InChIKeyAVXAQJRBMBGTBF-UHFFFAOYSA-N
XLogP2.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 55171674) is 1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CCNCC(F)(F)F.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is AVXAQJRBMBGTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2O/c11-9(12,13)6-17-3-4-18-5-7(10(14,15)16)1-2-8(18)19/h1-2,5,17H,3-4,6H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 288.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 55171674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).