4-(trifluoromethyl)-4aH-quinolin-2-one

C10H6F3NO — CID 78292195

IUPAC4-(trifluoromethyl)-4aH-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2C=CC=CC2=N1
InChIInChI=1S/C10H6F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h1-6H
InChIKeyZCOPJNUFNAHPEJ-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.20
Rot. Bonds

About 4-(trifluoromethyl)-4aH-quinolin-2-one

4-(trifluoromethyl)-4aH-quinolin-2-one (PubChem CID 78292195) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 4-(trifluoromethyl)-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-4aH-quinolin-2-one
PubChem CID78292195
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name4-(trifluoromethyl)-4aH-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2C=CC=CC2=N1
InChIInChI=1S/C10H6F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h1-6H
InChIKeyZCOPJNUFNAHPEJ-UHFFFAOYSA-N
XLogP2.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Trifluoromethyl)indol-2-one
CID 19417810
3,4-Difluoro-1-benzazepin-2-one
CID 19706833
6-(Trifluoromethyl)-1-benzazepin-2-one
CID 19838419
3-(Trifluoromethyl)-1-benzazepin-2-one
CID 21645863
6-(Trifluoromethyl)indol-2-one
CID 46173012
5-Trifluoromethyloxoindole
CID 46739861
7-(Trifluoromethyl)-1-benzazepin-2-one
CID 153881845
4,5-Difluoro-3-methylidenequinolin-2-one
CID 174791263
7-(Trifluoromethyl)indol-2-one
CID 175935665
6-fluoro-6H-quinolin-2-one
CID 71303965
8-fluoro-4aH-quinolin-2-one
CID 71304098
4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one
CID 71650402

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-4aH-quinolin-2-one?
The IUPAC name of 4-(trifluoromethyl)-4aH-quinolin-2-one (CID 78292195) is 4-(trifluoromethyl)-4aH-quinolin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-4aH-quinolin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-4aH-quinolin-2-one is O=C1C=C(C(F)(F)F)C2C=CC=CC2=N1.
What is the InChIKey of 4-(trifluoromethyl)-4aH-quinolin-2-one?
The InChIKey is ZCOPJNUFNAHPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h1-6H.
What are the key properties of 4-(trifluoromethyl)-4aH-quinolin-2-one?
4-(trifluoromethyl)-4aH-quinolin-2-one has a molecular weight of 213.16 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-4aH-quinolin-2-one is sourced from PubChem (CID 78292195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).