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

C9H4BrClF2N2 — CID 114590784

IUPAC8-bromo-4-chloro-2-(difluoromethyl)quinazoline
SMILESFC(F)c1nc(Cl)c2cccc(Br)c2n1
InChIInChI=1S/C9H4BrClF2N2/c10-5-3-1-2-4-6(5)14-9(8(12)13)15-7(4)11/h1-3,8H
InChIKeyBEHCDPPOKKSVKT-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.98
Rot. Bonds1

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

8-bromo-4-chloro-2-(difluoromethyl)quinazoline (PubChem CID 114590784) has the molecular formula C9H4BrClF2N2 and a molecular weight of 293.50 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-(difluoromethyl)quinazoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-(difluoromethyl)quinazoline
PubChem CID114590784
Molecular FormulaC9H4BrClF2N2
Molecular Weight293.50 g/mol
Exact Mass291.92
IUPAC Name8-bromo-4-chloro-2-(difluoromethyl)quinazoline
SMILESFC(F)c1nc(Cl)c2cccc(Br)c2n1
InChIInChI=1S/C9H4BrClF2N2/c10-5-3-1-2-4-6(5)14-9(8(12)13)15-7(4)11/h1-3,8H
InChIKeyBEHCDPPOKKSVKT-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-4-chloro-2-(trifluoromethyl)quinazoline
CID 34176296
6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline
CID 114590969
8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
CID 114590811
4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine
CID 176860729
2-(8-bromo-4-chloroquinazolin-2-yl)ethanamine
CID 84813864
8-bromo-4-chloro-2-(2,4-difluorophenyl)quinazoline
CID 114590744
8-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590763
8-bromo-2-chloroquinazolin-4-amine;8-bromo-2,4-dichloroquinazoline;oxolane
CID 159859261
2-bromo-4-chloro-8-fluoroquinazoline
CID 84806834
4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole
CID 114031072
8-bromo-2-chloro-N-methylquinazolin-4-amine
CID 114693495
8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine
CID 114693492

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-(difluoromethyl)quinazoline?
The IUPAC name of 8-bromo-4-chloro-2-(difluoromethyl)quinazoline (CID 114590784) is 8-bromo-4-chloro-2-(difluoromethyl)quinazoline.
What is the SMILES notation for 8-bromo-4-chloro-2-(difluoromethyl)quinazoline?
The canonical SMILES for 8-bromo-4-chloro-2-(difluoromethyl)quinazoline is FC(F)c1nc(Cl)c2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-4-chloro-2-(difluoromethyl)quinazoline?
The InChIKey is BEHCDPPOKKSVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClF2N2/c10-5-3-1-2-4-6(5)14-9(8(12)13)15-7(4)11/h1-3,8H.
What are the key properties of 8-bromo-4-chloro-2-(difluoromethyl)quinazoline?
8-bromo-4-chloro-2-(difluoromethyl)quinazoline has a molecular weight of 293.50 g/mol, XLogP of 3.98, 1 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-(difluoromethyl)quinazoline is sourced from PubChem (CID 114590784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).