4-chloro-2-(trifluoromethyl)quinoline

C10H5ClF3N — CID 2736709

IUPAC4-chloro-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C10H5ClF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKeyONNDFDQMHCNEGF-UHFFFAOYSA-N
MW231.60 g/mol
LogP3.91
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)quinoline

4-chloro-2-(trifluoromethyl)quinoline (PubChem CID 2736709) has the molecular formula C10H5ClF3N and a molecular weight of 231.60 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)quinoline
PubChem CID2736709
Molecular FormulaC10H5ClF3N
Molecular Weight231.60 g/mol
Exact Mass231.01
IUPAC Name4-chloro-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C10H5ClF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKeyONNDFDQMHCNEGF-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.60
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-2-(trifluoromethyl)quinoline (CID 2736709) is 4-chloro-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)quinoline is FC(F)(F)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)quinoline?
The InChIKey is ONNDFDQMHCNEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 4-chloro-2-(trifluoromethyl)quinoline?
4-chloro-2-(trifluoromethyl)quinoline has a molecular weight of 231.60 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 2736709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).