2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride

C17H9ClF3NO2 — CID 141109093

IUPAC2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride
SMILESO=C(Cl)c1cc2ccccc2n(-c2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C17H9ClF3NO2/c18-15(23)11-9-10-5-1-3-7-13(10)22(16(11)24)14-8-4-2-6-12(14)17(19,20)21/h1-9H
InChIKeyJCIFBBRUAZRUIM-UHFFFAOYSA-N
MW351.71 g/mol
LogP4.39
Rot. Bonds2

About 2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride

2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride (PubChem CID 141109093) has the molecular formula C17H9ClF3NO2 and a molecular weight of 351.71 g/mol. Its IUPAC name is 2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride.

Molecular Properties

Compound Name2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride
PubChem CID141109093
Molecular FormulaC17H9ClF3NO2
Molecular Weight351.71 g/mol
Exact Mass351.03
IUPAC Name2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride
SMILESO=C(Cl)c1cc2ccccc2n(-c2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C17H9ClF3NO2/c18-15(23)11-9-10-5-1-3-7-13(10)22(16(11)24)14-8-4-2-6-12(14)17(19,20)21/h1-9H
InChIKeyJCIFBBRUAZRUIM-UHFFFAOYSA-N
XLogP4.39
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride?
The IUPAC name of 2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride (CID 141109093) is 2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride.
What is the SMILES notation for 2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride?
The canonical SMILES for 2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride is O=C(Cl)c1cc2ccccc2n(-c2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of 2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride?
The InChIKey is JCIFBBRUAZRUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3NO2/c18-15(23)11-9-10-5-1-3-7-13(10)22(16(11)24)14-8-4-2-6-12(14)17(19,20)21/h1-9H.
What are the key properties of 2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride?
2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride has a molecular weight of 351.71 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride is sourced from PubChem (CID 141109093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).