6-methylidene-4-(trifluoromethyl)quinolin-2-one

C11H6F3NO — CID 78177323

IUPAC6-methylidene-4-(trifluoromethyl)quinolin-2-one
SMILESC=c1ccc2c(c1)C(C(F)(F)F)=CC(=O)N=2
InChIInChI=1S/C11H6F3NO/c1-6-2-3-9-7(4-6)8(11(12,13)14)5-10(16)15-9/h2-5H,1H2
InChIKeyCHGCFOUIOKEBMD-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.20
Rot. Bonds

About 6-methylidene-4-(trifluoromethyl)quinolin-2-one

6-methylidene-4-(trifluoromethyl)quinolin-2-one (PubChem CID 78177323) has the molecular formula C11H6F3NO and a molecular weight of 225.17 g/mol. Its IUPAC name is 6-methylidene-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name6-methylidene-4-(trifluoromethyl)quinolin-2-one
PubChem CID78177323
Molecular FormulaC11H6F3NO
Molecular Weight225.17 g/mol
Exact Mass225.04
IUPAC Name6-methylidene-4-(trifluoromethyl)quinolin-2-one
SMILESC=c1ccc2c(c1)C(C(F)(F)F)=CC(=O)N=2
InChIInChI=1S/C11H6F3NO/c1-6-2-3-9-7(4-6)8(11(12,13)14)5-10(16)15-9/h2-5H,1H2
InChIKeyCHGCFOUIOKEBMD-UHFFFAOYSA-N
XLogP1.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Fluoro-indolone
CID 54356889
Carbonyl quinolinone
CID 71302596
3-(Trifluoromethyl)indol-2-one
CID 19417810
3,4-Difluoro-1-benzazepin-2-one
CID 19706833
6-(Trifluoromethyl)-1-benzazepin-2-one
CID 19838419
6-(Fluoromethyl)indol-2-one
CID 20284781
3-Ethyl-6-(trifluoromethyl)-1-benzazepin-2-one
CID 21572534
3-(Trifluoromethyl)-1-benzazepin-2-one
CID 21645863
6-Fluoroindol-2-one
CID 45108281
6-(Trifluoromethyl)indol-2-one
CID 46173012
5-Fluoro-2-oxo-indole
CID 46739847
7-Fluoroindol-2-one
CID 46739858

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 6-methylidene-4-(trifluoromethyl)quinolin-2-one (CID 78177323) is 6-methylidene-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 6-methylidene-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 6-methylidene-4-(trifluoromethyl)quinolin-2-one is C=c1ccc2c(c1)C(C(F)(F)F)=CC(=O)N=2.
What is the InChIKey of 6-methylidene-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is CHGCFOUIOKEBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO/c1-6-2-3-9-7(4-6)8(11(12,13)14)5-10(16)15-9/h2-5H,1H2.
What are the key properties of 6-methylidene-4-(trifluoromethyl)quinolin-2-one?
6-methylidene-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 225.17 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 78177323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).