8-bromo-4-chloro-2-(trifluoromethyl)quinazoline

C9H3BrClF3N2 — CID 34176296

IUPAC8-bromo-4-chloro-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(Cl)c2cccc(Br)c2n1
InChIInChI=1S/C9H3BrClF3N2/c10-5-3-1-2-4-6(5)15-8(9(12,13)14)16-7(4)11/h1-3H
InChIKeyQZXRHWPACDPMTB-UHFFFAOYSA-N
MW311.49 g/mol
LogP4.06
Rot. Bonds

About 8-bromo-4-chloro-2-(trifluoromethyl)quinazoline

8-bromo-4-chloro-2-(trifluoromethyl)quinazoline (PubChem CID 34176296) has the molecular formula C9H3BrClF3N2 and a molecular weight of 311.49 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-(trifluoromethyl)quinazoline
PubChem CID34176296
Molecular FormulaC9H3BrClF3N2
Molecular Weight311.49 g/mol
Exact Mass309.91
IUPAC Name8-bromo-4-chloro-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(Cl)c2cccc(Br)c2n1
InChIInChI=1S/C9H3BrClF3N2/c10-5-3-1-2-4-6(5)15-8(9(12,13)14)16-7(4)11/h1-3H
InChIKeyQZXRHWPACDPMTB-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-(trifluoromethyl)quinazoline?
The IUPAC name of 8-bromo-4-chloro-2-(trifluoromethyl)quinazoline (CID 34176296) is 8-bromo-4-chloro-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 8-bromo-4-chloro-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 8-bromo-4-chloro-2-(trifluoromethyl)quinazoline is FC(F)(F)c1nc(Cl)c2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-4-chloro-2-(trifluoromethyl)quinazoline?
The InChIKey is QZXRHWPACDPMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClF3N2/c10-5-3-1-2-4-6(5)15-8(9(12,13)14)16-7(4)11/h1-3H.
What are the key properties of 8-bromo-4-chloro-2-(trifluoromethyl)quinazoline?
8-bromo-4-chloro-2-(trifluoromethyl)quinazoline has a molecular weight of 311.49 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 34176296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).