6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one

C16H8ClF4NO — CID 22279034

IUPAC6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(-c3cc(F)cc(Cl)c3)ccc2[nH]1
InChIInChI=1S/C16H8ClF4NO/c17-10-3-9(4-11(18)6-10)8-1-2-14-12(5-8)13(16(19,20)21)7-15(23)22-14/h1-7H,(H,22,23)
InChIKeyJPOXXFADYXWIGE-UHFFFAOYSA-N
MW341.69 g/mol
LogP5.01
Rot. Bonds1

About 6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one

6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279034) has the molecular formula C16H8ClF4NO and a molecular weight of 341.69 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279034
Molecular FormulaC16H8ClF4NO
Molecular Weight341.69 g/mol
Exact Mass341.02
IUPAC Name6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(-c3cc(F)cc(Cl)c3)ccc2[nH]1
InChIInChI=1S/C16H8ClF4NO/c17-10-3-9(4-11(18)6-10)8-1-2-14-12(5-8)13(16(19,20)21)7-15(23)22-14/h1-7H,(H,22,23)
InChIKeyJPOXXFADYXWIGE-UHFFFAOYSA-N
XLogP5.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.69
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279034) is 6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(-c3cc(F)cc(Cl)c3)ccc2[nH]1.
What is the InChIKey of 6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is JPOXXFADYXWIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF4NO/c17-10-3-9(4-11(18)6-10)8-1-2-14-12(5-8)13(16(19,20)21)7-15(23)22-14/h1-7H,(H,22,23).
What are the key properties of 6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 341.69 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).