4-bromo-2,8-bis(trifluoromethyl)quinoline

C11H4BrF6N — CID 4071242

IUPAC4-bromo-2,8-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Br)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C11H4BrF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H
InChIKeyDXALAFAFIXJDOS-UHFFFAOYSA-N
MW344.05 g/mol
LogP5.03
Rot. Bonds

About 4-bromo-2,8-bis(trifluoromethyl)quinoline

4-bromo-2,8-bis(trifluoromethyl)quinoline (PubChem CID 4071242) has the molecular formula C11H4BrF6N and a molecular weight of 344.05 g/mol. Its IUPAC name is 4-bromo-2,8-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-bromo-2,8-bis(trifluoromethyl)quinoline
PubChem CID4071242
Molecular FormulaC11H4BrF6N
Molecular Weight344.05 g/mol
Exact Mass342.94
IUPAC Name4-bromo-2,8-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Br)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C11H4BrF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H
InChIKeyDXALAFAFIXJDOS-UHFFFAOYSA-N
XLogP5.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.05
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,8-bis(trifluoromethyl)quinoline?
The IUPAC name of 4-bromo-2,8-bis(trifluoromethyl)quinoline (CID 4071242) is 4-bromo-2,8-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 4-bromo-2,8-bis(trifluoromethyl)quinoline?
The canonical SMILES for 4-bromo-2,8-bis(trifluoromethyl)quinoline is FC(F)(F)c1cc(Br)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 4-bromo-2,8-bis(trifluoromethyl)quinoline?
The InChIKey is DXALAFAFIXJDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H.
What are the key properties of 4-bromo-2,8-bis(trifluoromethyl)quinoline?
4-bromo-2,8-bis(trifluoromethyl)quinoline has a molecular weight of 344.05 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,8-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 4071242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).