4-chloro-6,8-difluoro-3,7-dimethylquinoline

C11H8ClF2N — CID 171373268

IUPAC4-chloro-6,8-difluoro-3,7-dimethylquinoline
SMILESCc1cnc2c(F)c(C)c(F)cc2c1Cl
InChIInChI=1S/C11H8ClF2N/c1-5-4-15-11-7(9(5)12)3-8(13)6(2)10(11)14/h3-4H,1-2H3
InChIKeyIXFWJTGXDAPDQS-UHFFFAOYSA-N
MW227.64 g/mol
LogP3.78
Rot. Bonds

About 4-chloro-6,8-difluoro-3,7-dimethylquinoline

4-chloro-6,8-difluoro-3,7-dimethylquinoline (PubChem CID 171373268) has the molecular formula C11H8ClF2N and a molecular weight of 227.64 g/mol. Its IUPAC name is 4-chloro-6,8-difluoro-3,7-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-6,8-difluoro-3,7-dimethylquinoline
PubChem CID171373268
Molecular FormulaC11H8ClF2N
Molecular Weight227.64 g/mol
Exact Mass227.03
IUPAC Name4-chloro-6,8-difluoro-3,7-dimethylquinoline
SMILESCc1cnc2c(F)c(C)c(F)cc2c1Cl
InChIInChI=1S/C11H8ClF2N/c1-5-4-15-11-7(9(5)12)3-8(13)6(2)10(11)14/h3-4H,1-2H3
InChIKeyIXFWJTGXDAPDQS-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.64
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,8-difluoro-3,7-dimethylquinoline?
The IUPAC name of 4-chloro-6,8-difluoro-3,7-dimethylquinoline (CID 171373268) is 4-chloro-6,8-difluoro-3,7-dimethylquinoline.
What is the SMILES notation for 4-chloro-6,8-difluoro-3,7-dimethylquinoline?
The canonical SMILES for 4-chloro-6,8-difluoro-3,7-dimethylquinoline is Cc1cnc2c(F)c(C)c(F)cc2c1Cl.
What is the InChIKey of 4-chloro-6,8-difluoro-3,7-dimethylquinoline?
The InChIKey is IXFWJTGXDAPDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N/c1-5-4-15-11-7(9(5)12)3-8(13)6(2)10(11)14/h3-4H,1-2H3.
What are the key properties of 4-chloro-6,8-difluoro-3,7-dimethylquinoline?
4-chloro-6,8-difluoro-3,7-dimethylquinoline has a molecular weight of 227.64 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,8-difluoro-3,7-dimethylquinoline is sourced from PubChem (CID 171373268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).