6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline

C9H3BrClF3N2 — CID 114590969

IUPAC6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline
SMILESFc1cc(Br)cc2c(Cl)nc(C(F)F)nc12
InChIInChI=1S/C9H3BrClF3N2/c10-3-1-4-6(5(12)2-3)15-9(8(13)14)16-7(4)11/h1-2,8H
InChIKeyPGEULPYYIZZOBJ-UHFFFAOYSA-N
MW311.49 g/mol
LogP4.12
Rot. Bonds1

About 6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline

6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline (PubChem CID 114590969) has the molecular formula C9H3BrClF3N2 and a molecular weight of 311.49 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline
PubChem CID114590969
Molecular FormulaC9H3BrClF3N2
Molecular Weight311.49 g/mol
Exact Mass309.91
IUPAC Name6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline
SMILESFc1cc(Br)cc2c(Cl)nc(C(F)F)nc12
InChIInChI=1S/C9H3BrClF3N2/c10-3-1-4-6(5(12)2-3)15-9(8(13)14)16-7(4)11/h1-2,8H
InChIKeyPGEULPYYIZZOBJ-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-4-chloro-2-(difluoromethyl)quinazoline
CID 114590784
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
7-bromo-2,3-dichloro-5-fluoroquinoxaline
CID 58475289
7-bromo-1-chloro-5-fluoro-3-methylisoquinoline
CID 114517527
4-chloro-2-(difluoromethyl)-6-fluoro-[1]benzofuro[3,2-d]pyrimidine
CID 176860729
6-bromo-2,4-dichloro-8-fluoroquinazoline;6-bromo-8-fluoro-1H-quinazoline-2,4-dione
CID 160733512
6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
CID 114692809
2-[6-bromo-2-(difluoromethyl)-8-fluoroquinazolin-4-yl]oxyethyl tert-butyl carbonate
CID 154932620
6,8-dibromo-4-chloro-2-cyclopropylquinazoline
CID 106584417
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline
CID 114589887
6-bromo-2-chloro-4-fluoro-1,3-benzothiazole
CID 58470056
2-bromo-4-chloro-8-fluoroquinazoline
CID 84806834

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline?
The IUPAC name of 6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline (CID 114590969) is 6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline.
What is the SMILES notation for 6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline?
The canonical SMILES for 6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline is Fc1cc(Br)cc2c(Cl)nc(C(F)F)nc12.
What is the InChIKey of 6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline?
The InChIKey is PGEULPYYIZZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClF3N2/c10-3-1-4-6(5(12)2-3)15-9(8(13)14)16-7(4)11/h1-2,8H.
What are the key properties of 6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline?
6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline has a molecular weight of 311.49 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline is sourced from PubChem (CID 114590969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).