4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one

C10H5ClF3NO — CID 71650402

IUPAC4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one
SMILESO=C1C=C(Cl)C2=CC=CC(C(F)(F)F)C2=N1
InChIInChI=1S/C10H5ClF3NO/c11-7-4-8(16)15-9-5(7)2-1-3-6(9)10(12,13)14/h1-4,6H
InChIKeyRTOAXIHBTLEHSS-UHFFFAOYSA-N
MW247.60 g/mol
LogP2.77
Rot. Bonds

About 4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one

4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one (PubChem CID 71650402) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one.

Molecular Properties

Compound Name4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one
PubChem CID71650402
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one
SMILESO=C1C=C(Cl)C2=CC=CC(C(F)(F)F)C2=N1
InChIInChI=1S/C10H5ClF3NO/c11-7-4-8(16)15-9-5(7)2-1-3-6(9)10(12,13)14/h1-4,6H
InChIKeyRTOAXIHBTLEHSS-UHFFFAOYSA-N
XLogP2.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73083461
6-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635635
7-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635636
6-Methylidene-4-(trifluoromethyl)quinolin-2-one
CID 78177323
4-(trifluoromethyl)-4aH-quinolin-2-one
CID 78292195
6-fluoro-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 122130455
8-(trifluoromethyl)-8H-quinolin-2-one
CID 138058914
7-chloro-8-fluoro-8H-quinolin-2-one
CID 138058931
8-chloro-5-fluoro-4aH-quinolin-2-one
CID 178188337
7-chloro-8-methyl-4aH-quinolin-2-one
CID 71304033
7-Chloro-8-methylidenequinolin-2-one
CID 71650467
8-chloro-4-methyl-4aH-quinolin-2-one
CID 71651036

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one?
The IUPAC name of 4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one (CID 71650402) is 4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one.
What is the SMILES notation for 4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one?
The canonical SMILES for 4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one is O=C1C=C(Cl)C2=CC=CC(C(F)(F)F)C2=N1.
What is the InChIKey of 4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one?
The InChIKey is RTOAXIHBTLEHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-7-4-8(16)15-9-5(7)2-1-3-6(9)10(12,13)14/h1-4,6H.
What are the key properties of 4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one?
4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one has a molecular weight of 247.60 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-(trifluoromethyl)-8H-quinolin-2-one is sourced from PubChem (CID 71650402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).