2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

C13H12F3NO2 — CID 54890999

IUPAC2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
SMILESCc1[nH]c2c(OCC(F)(F)F)cccc2c(=O)c1C
InChIInChI=1S/C13H12F3NO2/c1-7-8(2)17-11-9(12(7)18)4-3-5-10(11)19-6-13(14,15)16/h3-5H,6H2,1-2H3,(H,17,18)
InChIKeyYLVRKUVKSPQHBG-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.09
Rot. Bonds2

About 2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one (PubChem CID 54890999) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
PubChem CID54890999
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
SMILESCc1[nH]c2c(OCC(F)(F)F)cccc2c(=O)c1C
InChIInChI=1S/C13H12F3NO2/c1-7-8(2)17-11-9(12(7)18)4-3-5-10(11)19-6-13(14,15)16/h3-5H,6H2,1-2H3,(H,17,18)
InChIKeyYLVRKUVKSPQHBG-UHFFFAOYSA-N
XLogP3.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The IUPAC name of 2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one (CID 54890999) is 2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The canonical SMILES for 2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one is Cc1[nH]c2c(OCC(F)(F)F)cccc2c(=O)c1C.
What is the InChIKey of 2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
The InChIKey is YLVRKUVKSPQHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-7-8(2)17-11-9(12(7)18)4-3-5-10(11)19-6-13(14,15)16/h3-5H,6H2,1-2H3,(H,17,18).
What are the key properties of 2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one?
2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one has a molecular weight of 271.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 54890999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).