2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one

C12H10F3NO — CID 63561305

IUPAC2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one
SMILESCCc1[nH]c2c(F)cc(F)c(F)c2c(=O)c1C
InChIInChI=1S/C12H10F3NO/c1-3-8-5(2)12(17)9-10(15)6(13)4-7(14)11(9)16-8/h4H,3H2,1-2H3,(H,16,17)
InChIKeyWTOLXPQJPMBNQW-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.82
Rot. Bonds1

About 2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one

2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one (PubChem CID 63561305) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one
PubChem CID63561305
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one
SMILESCCc1[nH]c2c(F)cc(F)c(F)c2c(=O)c1C
InChIInChI=1S/C12H10F3NO/c1-3-8-5(2)12(17)9-10(15)6(13)4-7(14)11(9)16-8/h4H,3H2,1-2H3,(H,16,17)
InChIKeyWTOLXPQJPMBNQW-UHFFFAOYSA-N
XLogP2.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one (CID 63561305) is 2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one is CCc1[nH]c2c(F)cc(F)c(F)c2c(=O)c1C.
What is the InChIKey of 2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one?
The InChIKey is WTOLXPQJPMBNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-3-8-5(2)12(17)9-10(15)6(13)4-7(14)11(9)16-8/h4H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one?
2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one has a molecular weight of 241.21 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 63561305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).