2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline

C15H8ClF2N — CID 21488577

IUPAC2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline
SMILESFc1ccc2nc(Cl)cc(-c3ccccc3F)c2c1
InChIInChI=1S/C15H8ClF2N/c16-15-8-11(10-3-1-2-4-13(10)18)12-7-9(17)5-6-14(12)19-15/h1-8H
InChIKeyIXCNFCZNSYCCAV-UHFFFAOYSA-N
MW275.69 g/mol
LogP4.83
Rot. Bonds1

About 2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline

2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline (PubChem CID 21488577) has the molecular formula C15H8ClF2N and a molecular weight of 275.69 g/mol. Its IUPAC name is 2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline.

Molecular Properties

Compound Name2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline
PubChem CID21488577
Molecular FormulaC15H8ClF2N
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline
SMILESFc1ccc2nc(Cl)cc(-c3ccccc3F)c2c1
InChIInChI=1S/C15H8ClF2N/c16-15-8-11(10-3-1-2-4-13(10)18)12-7-9(17)5-6-14(12)19-15/h1-8H
InChIKeyIXCNFCZNSYCCAV-UHFFFAOYSA-N
XLogP4.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline?
The IUPAC name of 2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline (CID 21488577) is 2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline.
What is the SMILES notation for 2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline?
The canonical SMILES for 2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline is Fc1ccc2nc(Cl)cc(-c3ccccc3F)c2c1.
What is the InChIKey of 2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline?
The InChIKey is IXCNFCZNSYCCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N/c16-15-8-11(10-3-1-2-4-13(10)18)12-7-9(17)5-6-14(12)19-15/h1-8H.
What are the key properties of 2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline?
2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline has a molecular weight of 275.69 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-4-(2-fluorophenyl)quinoline is sourced from PubChem (CID 21488577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).