5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline

C11H6BrClF3N — CID 107593556

IUPAC5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline
SMILESCc1cc(F)c(Br)c2c(Cl)cc(C(F)F)nc12
InChIInChI=1S/C11H6BrClF3N/c1-4-2-6(14)9(12)8-5(13)3-7(11(15)16)17-10(4)8/h2-3,11H,1H3
InChIKeyMARYOKDLSPGCQC-UHFFFAOYSA-N
MW324.53 g/mol
LogP5.04
Rot. Bonds1

About 5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline

5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline (PubChem CID 107593556) has the molecular formula C11H6BrClF3N and a molecular weight of 324.53 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline
PubChem CID107593556
Molecular FormulaC11H6BrClF3N
Molecular Weight324.53 g/mol
Exact Mass322.93
IUPAC Name5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline
SMILESCc1cc(F)c(Br)c2c(Cl)cc(C(F)F)nc12
InChIInChI=1S/C11H6BrClF3N/c1-4-2-6(14)9(12)8-5(13)3-7(11(15)16)17-10(4)8/h2-3,11H,1H3
InChIKeyMARYOKDLSPGCQC-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.53
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline
CID 62891436
8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
CID 82766655
5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline
CID 107593557
4-chloro-2-(difluoromethyl)-5,8-difluoroquinoline
CID 62890910
4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline
CID 107530946
6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline
CID 165443847
5-bromo-2-(difluoromethyl)-N-ethyl-6,8-difluoroquinolin-4-amine
CID 102854981
4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline
CID 62892117
5-bromo-2-(difluoromethyl)-6,8-difluoro-N-propylquinolin-4-amine
CID 102854988
5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
CID 102854746
5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine
CID 107594027
5-bromo-6-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 107594002

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline?
The IUPAC name of 5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline (CID 107593556) is 5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline.
What is the SMILES notation for 5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline?
The canonical SMILES for 5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline is Cc1cc(F)c(Br)c2c(Cl)cc(C(F)F)nc12.
What is the InChIKey of 5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline?
The InChIKey is MARYOKDLSPGCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3N/c1-4-2-6(14)9(12)8-5(13)3-7(11(15)16)17-10(4)8/h2-3,11H,1H3.
What are the key properties of 5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline?
5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline has a molecular weight of 324.53 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline is sourced from PubChem (CID 107593556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).