5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one

C11H9F9N2O — CID 142728230

IUPAC5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(N(CC(F)(F)F)c1c[nH]c(=O)c(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H9F9N2O/c1-5(10(15,16)17)22(4-9(12,13)14)6-2-7(11(18,19)20)8(23)21-3-6/h2-3,5H,4H2,1H3,(H,21,23)
InChIKeyRNYBVUBYQOVNOY-UHFFFAOYSA-N
MW356.19 g/mol
LogP3.71
Rot. Bonds3

About 5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one

5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 142728230) has the molecular formula C11H9F9N2O and a molecular weight of 356.19 g/mol. Its IUPAC name is 5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID142728230
Molecular FormulaC11H9F9N2O
Molecular Weight356.19 g/mol
Exact Mass356.06
IUPAC Name5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(N(CC(F)(F)F)c1c[nH]c(=O)c(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H9F9N2O/c1-5(10(15,16)17)22(4-9(12,13)14)6-2-7(11(18,19)20)8(23)21-3-6/h2-3,5H,4H2,1H3,(H,21,23)
InChIKeyRNYBVUBYQOVNOY-UHFFFAOYSA-N
XLogP3.71
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one (CID 142728230) is 5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one is CC(N(CC(F)(F)F)c1c[nH]c(=O)c(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is RNYBVUBYQOVNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F9N2O/c1-5(10(15,16)17)22(4-9(12,13)14)6-2-7(11(18,19)20)8(23)21-3-6/h2-3,5H,4H2,1H3,(H,21,23).
What are the key properties of 5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one?
5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 356.19 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 142728230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).