7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one

C10H5ClF3NO — CID 2736610

IUPAC7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H5ClF3NO/c11-5-1-2-6-7(3-5)15-9(4-8(6)16)10(12,13)14/h1-4H,(H,15,16)
InChIKeyZJZPFKHDRYBYBO-UHFFFAOYSA-N
MW247.60 g/mol
LogP3.20
Rot. Bonds

About 7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one

7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 2736610) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID2736610
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H5ClF3NO/c11-5-1-2-6-7(3-5)15-9(4-8(6)16)10(12,13)14/h1-4H,(H,15,16)
InChIKeyZJZPFKHDRYBYBO-UHFFFAOYSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-4-oxo-1H-quinoline-2-carbonitrile
CID 15877340
5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 43668071
5-chloro-6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 2773787
6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63180257
2-bromo-3,7-dichloro-1H-quinolin-4-one
CID 174901251
2-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118849661
8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one
CID 114260850
2-bromo-6-chloro-3-methyl-1H-indole
CID 84631725
6-chloro-2-(trifluoromethyl)chromen-4-one
CID 746049
8-chloro-6H-pyrazino[2,3-c]quinolin-5-one
CID 121219727
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
CID 101005801

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one (CID 2736610) is 7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one is O=c1cc(C(F)(F)F)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is ZJZPFKHDRYBYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-5-1-2-6-7(3-5)15-9(4-8(6)16)10(12,13)14/h1-4H,(H,15,16).
What are the key properties of 7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one?
7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 247.60 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 2736610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).