3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one

C9H10F3NO2 — CID 53406594

IUPAC3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(C)c1OCC(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-5-3-13-8(14)6(2)7(5)15-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyVNRVKUSXBYCEOA-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.93
Rot. Bonds2

About 3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one

3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one (PubChem CID 53406594) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
PubChem CID53406594
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(C)c1OCC(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-5-3-13-8(14)6(2)7(5)15-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyVNRVKUSXBYCEOA-UHFFFAOYSA-N
XLogP1.93
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The IUPAC name of 3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one (CID 53406594) is 3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one is Cc1c[nH]c(=O)c(C)c1OCC(F)(F)F.
What is the InChIKey of 3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The InChIKey is VNRVKUSXBYCEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-5-3-13-8(14)6(2)7(5)15-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of 3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 53406594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).