1-methyl-6-(trifluoromethyl)quinolin-2-one

C11H8F3NO — CID 16751

IUPAC1-methyl-6-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)ccc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H8F3NO/c1-15-9-4-3-8(11(12,13)14)6-7(9)2-5-10(15)16/h2-6H,1H3
InChIKeyBSFJLMNFTBGXQE-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.56
Rot. Bonds

About 1-methyl-6-(trifluoromethyl)quinolin-2-one

1-methyl-6-(trifluoromethyl)quinolin-2-one (PubChem CID 16751) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-methyl-6-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(trifluoromethyl)quinolin-2-one
PubChem CID16751
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name1-methyl-6-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)ccc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H8F3NO/c1-15-9-4-3-8(11(12,13)14)6-7(9)2-5-10(15)16/h2-6H,1H3
InChIKeyBSFJLMNFTBGXQE-UHFFFAOYSA-N
XLogP2.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-methyl-6-(trifluoromethyl)quinolin-2-one (CID 16751) is 1-methyl-6-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-methyl-6-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-methyl-6-(trifluoromethyl)quinolin-2-one is Cn1c(=O)ccc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-6-(trifluoromethyl)quinolin-2-one?
The InChIKey is BSFJLMNFTBGXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-15-9-4-3-8(11(12,13)14)6-7(9)2-5-10(15)16/h2-6H,1H3.
What are the key properties of 1-methyl-6-(trifluoromethyl)quinolin-2-one?
1-methyl-6-(trifluoromethyl)quinolin-2-one has a molecular weight of 227.19 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 16751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).