6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one

C10H5ClF3NO — CID 71650444

IUPAC6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one
SMILESO=C1C=CN=C2C1=CC(Cl)C=C2C(F)(F)F
InChIInChI=1S/C10H5ClF3NO/c11-5-3-6-8(16)1-2-15-9(6)7(4-5)10(12,13)14/h1-5H
InChIKeyHEQVXHDQSXVHRR-UHFFFAOYSA-N
MW247.60 g/mol
LogP2.56
Rot. Bonds

About 6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one

6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one (PubChem CID 71650444) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one
PubChem CID71650444
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one
SMILESO=C1C=CN=C2C1=CC(Cl)C=C2C(F)(F)F
InChIInChI=1S/C10H5ClF3NO/c11-5-3-6-8(16)1-2-15-9(6)7(4-5)10(12,13)14/h1-5H
InChIKeyHEQVXHDQSXVHRR-UHFFFAOYSA-N
XLogP2.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Fluoro-8-methylidenequinolin-4-one
CID 71304041
8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one
CID 71650473
2-(chloromethyl)-8-fluoro-8H-quinolin-4-one
CID 73403339
2-(chloromethyl)-6-fluoro-6H-quinolin-4-one
CID 73403340
5-Chloro-8-methylidenequinolin-4-one
CID 73358278
7-Chloro-8-methylidenequinolin-4-one
CID 73358279
6-chloro-6H-quinolin-4-one
CID 73745185
6-chloro-8-methyl-6H-quinolin-4-one
CID 77620628
8-chloro-8H-quinolin-4-one
CID 78175165

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one?
The IUPAC name of 6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one (CID 71650444) is 6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one.
What is the SMILES notation for 6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one?
The canonical SMILES for 6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one is O=C1C=CN=C2C1=CC(Cl)C=C2C(F)(F)F.
What is the InChIKey of 6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one?
The InChIKey is HEQVXHDQSXVHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-5-3-6-8(16)1-2-15-9(6)7(4-5)10(12,13)14/h1-5H.
What are the key properties of 6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one?
6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one has a molecular weight of 247.60 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 6-chloro-8-(trifluoromethyl)-6H-quinolin-4-one is sourced from PubChem (CID 71650444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).