4,8-dichloro-5,6-difluoro-3-methylquinoline

C10H5Cl2F2N — CID 171373412

IUPAC4,8-dichloro-5,6-difluoro-3-methylquinoline
SMILESCc1cnc2c(Cl)cc(F)c(F)c2c1Cl
InChIInChI=1S/C10H5Cl2F2N/c1-4-3-15-10-5(11)2-6(13)9(14)7(10)8(4)12/h2-3H,1H3
InChIKeySVKZAXMKWSTYBN-UHFFFAOYSA-N
MW248.06 g/mol
LogP4.13
Rot. Bonds

About 4,8-dichloro-5,6-difluoro-3-methylquinoline

4,8-dichloro-5,6-difluoro-3-methylquinoline (PubChem CID 171373412) has the molecular formula C10H5Cl2F2N and a molecular weight of 248.06 g/mol. Its IUPAC name is 4,8-dichloro-5,6-difluoro-3-methylquinoline.

Molecular Properties

Compound Name4,8-dichloro-5,6-difluoro-3-methylquinoline
PubChem CID171373412
Molecular FormulaC10H5Cl2F2N
Molecular Weight248.06 g/mol
Exact Mass246.98
IUPAC Name4,8-dichloro-5,6-difluoro-3-methylquinoline
SMILESCc1cnc2c(Cl)cc(F)c(F)c2c1Cl
InChIInChI=1S/C10H5Cl2F2N/c1-4-3-15-10-5(11)2-6(13)9(14)7(10)8(4)12/h2-3H,1H3
InChIKeySVKZAXMKWSTYBN-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-5,6-difluoro-3-methylquinoline?
The IUPAC name of 4,8-dichloro-5,6-difluoro-3-methylquinoline (CID 171373412) is 4,8-dichloro-5,6-difluoro-3-methylquinoline.
What is the SMILES notation for 4,8-dichloro-5,6-difluoro-3-methylquinoline?
The canonical SMILES for 4,8-dichloro-5,6-difluoro-3-methylquinoline is Cc1cnc2c(Cl)cc(F)c(F)c2c1Cl.
What is the InChIKey of 4,8-dichloro-5,6-difluoro-3-methylquinoline?
The InChIKey is SVKZAXMKWSTYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F2N/c1-4-3-15-10-5(11)2-6(13)9(14)7(10)8(4)12/h2-3H,1H3.
What are the key properties of 4,8-dichloro-5,6-difluoro-3-methylquinoline?
4,8-dichloro-5,6-difluoro-3-methylquinoline has a molecular weight of 248.06 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-5,6-difluoro-3-methylquinoline is sourced from PubChem (CID 171373412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).