8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline

C9H2BrCl2F3N2 — CID 166541989

IUPAC8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1cc(Br)c2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C9H2BrCl2F3N2/c10-5-2-3(9(13,14)15)1-4-6(5)16-8(12)17-7(4)11/h1-2H
InChIKeyJKEQREKHVMWAAC-UHFFFAOYSA-N
MW345.93 g/mol
LogP4.72
Rot. Bonds

About 8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline

8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline (PubChem CID 166541989) has the molecular formula C9H2BrCl2F3N2 and a molecular weight of 345.93 g/mol. Its IUPAC name is 8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline
PubChem CID166541989
Molecular FormulaC9H2BrCl2F3N2
Molecular Weight345.93 g/mol
Exact Mass343.87
IUPAC Name8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1cc(Br)c2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C9H2BrCl2F3N2/c10-5-2-3(9(13,14)15)1-4-6(5)16-8(12)17-7(4)11/h1-2H
InChIKeyJKEQREKHVMWAAC-UHFFFAOYSA-N
XLogP4.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.93
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline?
The IUPAC name of 8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline (CID 166541989) is 8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline.
What is the SMILES notation for 8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline?
The canonical SMILES for 8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline is FC(F)(F)c1cc(Br)c2nc(Cl)nc(Cl)c2c1.
What is the InChIKey of 8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline?
The InChIKey is JKEQREKHVMWAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2BrCl2F3N2/c10-5-2-3(9(13,14)15)1-4-6(5)16-8(12)17-7(4)11/h1-2H.
What are the key properties of 8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline?
8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline has a molecular weight of 345.93 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,4-dichloro-6-(trifluoromethyl)quinazoline is sourced from PubChem (CID 166541989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).