5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one

C10H4ClF4NO — CID 43668071

IUPAC5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c(F)ccc(Cl)c12
InChIInChI=1S/C10H4ClF4NO/c11-4-1-2-5(12)9-8(4)6(17)3-7(16-9)10(13,14)15/h1-3H,(H,16,17)
InChIKeyUSGUKBXBAXEYIF-UHFFFAOYSA-N
MW265.59 g/mol
LogP3.34
Rot. Bonds

About 5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one

5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 43668071) has the molecular formula C10H4ClF4NO and a molecular weight of 265.59 g/mol. Its IUPAC name is 5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID43668071
Molecular FormulaC10H4ClF4NO
Molecular Weight265.59 g/mol
Exact Mass264.99
IUPAC Name5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c(F)ccc(Cl)c12
InChIInChI=1S/C10H4ClF4NO/c11-4-1-2-5(12)9-8(4)6(17)3-7(16-9)10(13,14)15/h1-3H,(H,16,17)
InChIKeyUSGUKBXBAXEYIF-UHFFFAOYSA-N
XLogP3.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.59
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one (CID 43668071) is 5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one is O=c1cc(C(F)(F)F)[nH]c2c(F)ccc(Cl)c12.
What is the InChIKey of 5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is USGUKBXBAXEYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF4NO/c11-4-1-2-5(12)9-8(4)6(17)3-7(16-9)10(13,14)15/h1-3H,(H,16,17).
What are the key properties of 5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one?
5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 265.59 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 43668071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).