4-bromo-8-(trifluoromethyl)quinoline

C10H5BrF3N — CID 21277369

IUPAC4-bromo-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(Br)ccnc12
InChIInChI=1S/C10H5BrF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H
InChIKeyZLLWNTMVQORUCR-UHFFFAOYSA-N
MW276.06 g/mol
LogP4.02
Rot. Bonds

About 4-bromo-8-(trifluoromethyl)quinoline

4-bromo-8-(trifluoromethyl)quinoline (PubChem CID 21277369) has the molecular formula C10H5BrF3N and a molecular weight of 276.06 g/mol. Its IUPAC name is 4-bromo-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-bromo-8-(trifluoromethyl)quinoline
PubChem CID21277369
Molecular FormulaC10H5BrF3N
Molecular Weight276.06 g/mol
Exact Mass274.96
IUPAC Name4-bromo-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(Br)ccnc12
InChIInChI=1S/C10H5BrF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H
InChIKeyZLLWNTMVQORUCR-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.06
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-bromo-8-(trifluoromethyl)quinoline (CID 21277369) is 4-bromo-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-bromo-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-bromo-8-(trifluoromethyl)quinoline is FC(F)(F)c1cccc2c(Br)ccnc12.
What is the InChIKey of 4-bromo-8-(trifluoromethyl)quinoline?
The InChIKey is ZLLWNTMVQORUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H.
What are the key properties of 4-bromo-8-(trifluoromethyl)quinoline?
4-bromo-8-(trifluoromethyl)quinoline has a molecular weight of 276.06 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 21277369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).