4,8-dichloro-7-fluoroquinoline

C9H4Cl2FN — CID 130131663

IUPAC4,8-dichloro-7-fluoroquinoline
SMILESFc1ccc2c(Cl)ccnc2c1Cl
InChIInChI=1S/C9H4Cl2FN/c10-6-3-4-13-9-5(6)1-2-7(12)8(9)11/h1-4H
InChIKeyRFQDFRAMEFJRQG-UHFFFAOYSA-N
MW216.04 g/mol
LogP3.68
Rot. Bonds

About 4,8-dichloro-7-fluoroquinoline

4,8-dichloro-7-fluoroquinoline (PubChem CID 130131663) has the molecular formula C9H4Cl2FN and a molecular weight of 216.04 g/mol. Its IUPAC name is 4,8-dichloro-7-fluoroquinoline.

Molecular Properties

Compound Name4,8-dichloro-7-fluoroquinoline
PubChem CID130131663
Molecular FormulaC9H4Cl2FN
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name4,8-dichloro-7-fluoroquinoline
SMILESFc1ccc2c(Cl)ccnc2c1Cl
InChIInChI=1S/C9H4Cl2FN/c10-6-3-4-13-9-5(6)1-2-7(12)8(9)11/h1-4H
InChIKeyRFQDFRAMEFJRQG-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Quinoline
CID 7047
4,7-Dichloroquinoline
CID 6866
6-Chloroquinoline
CID 69163
8-Chloroquinoline
CID 69139
4-Amino-7-chloroquinoline
CID 94711
2-Chloroquinoline
CID 11928
4-Chloro-2-trichloromethylquinoline
CID 618540
8-Fluoroquinoline
CID 67856
4-Chloroquinoline
CID 69140
5-Chloroquinoline
CID 69458
Quinoline, 6-fluoro-
CID 196975
7-Fluoroquinoline
CID 160459

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-7-fluoroquinoline?
The IUPAC name of 4,8-dichloro-7-fluoroquinoline (CID 130131663) is 4,8-dichloro-7-fluoroquinoline.
What is the SMILES notation for 4,8-dichloro-7-fluoroquinoline?
The canonical SMILES for 4,8-dichloro-7-fluoroquinoline is Fc1ccc2c(Cl)ccnc2c1Cl.
What is the InChIKey of 4,8-dichloro-7-fluoroquinoline?
The InChIKey is RFQDFRAMEFJRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FN/c10-6-3-4-13-9-5(6)1-2-7(12)8(9)11/h1-4H.
What are the key properties of 4,8-dichloro-7-fluoroquinoline?
4,8-dichloro-7-fluoroquinoline has a molecular weight of 216.04 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-7-fluoroquinoline is sourced from PubChem (CID 130131663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).