2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline

C17H11BrFN — CID 7945982

IUPAC2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline
SMILESFc1cc(Br)ccc1/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C17H11BrFN/c18-14-8-5-12(16(19)11-14)6-9-15-10-7-13-3-1-2-4-17(13)20-15/h1-11H/b9-6+
InChIKeyJGSYLLKSNCCLPS-RMKNXTFCSA-N
MW328.18 g/mol
LogP5.31
Rot. Bonds2

About 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline

2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline (PubChem CID 7945982) has the molecular formula C17H11BrFN and a molecular weight of 328.18 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline
PubChem CID7945982
Molecular FormulaC17H11BrFN
Molecular Weight328.18 g/mol
Exact Mass327.01
IUPAC Name2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline
SMILESFc1cc(Br)ccc1/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C17H11BrFN/c18-14-8-5-12(16(19)11-14)6-9-15-10-7-13-3-1-2-4-17(13)20-15/h1-11H/b9-6+
InChIKeyJGSYLLKSNCCLPS-RMKNXTFCSA-N
XLogP5.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.18
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline (CID 7945982) is 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline is Fc1cc(Br)ccc1/C=C/c1ccc2ccccc2n1.
What is the InChIKey of 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline?
The InChIKey is JGSYLLKSNCCLPS-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H11BrFN/c18-14-8-5-12(16(19)11-14)6-9-15-10-7-13-3-1-2-4-17(13)20-15/h1-11H/b9-6+.
What are the key properties of 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline?
2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline has a molecular weight of 328.18 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline is sourced from PubChem (CID 7945982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).