4,6-dichloro-8-fluoro-2-propylquinoline

C12H10Cl2FN — CID 43668690

IUPAC4,6-dichloro-8-fluoro-2-propylquinoline
SMILESCCCc1cc(Cl)c2cc(Cl)cc(F)c2n1
InChIInChI=1S/C12H10Cl2FN/c1-2-3-8-6-10(14)9-4-7(13)5-11(15)12(9)16-8/h4-6H,2-3H2,1H3
InChIKeyNIGSSALCEANAIC-UHFFFAOYSA-N
MW258.12 g/mol
LogP4.63
Rot. Bonds2

About 4,6-dichloro-8-fluoro-2-propylquinoline

4,6-dichloro-8-fluoro-2-propylquinoline (PubChem CID 43668690) has the molecular formula C12H10Cl2FN and a molecular weight of 258.12 g/mol. Its IUPAC name is 4,6-dichloro-8-fluoro-2-propylquinoline.

Molecular Properties

Compound Name4,6-dichloro-8-fluoro-2-propylquinoline
PubChem CID43668690
Molecular FormulaC12H10Cl2FN
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name4,6-dichloro-8-fluoro-2-propylquinoline
SMILESCCCc1cc(Cl)c2cc(Cl)cc(F)c2n1
InChIInChI=1S/C12H10Cl2FN/c1-2-3-8-6-10(14)9-4-7(13)5-11(15)12(9)16-8/h4-6H,2-3H2,1H3
InChIKeyNIGSSALCEANAIC-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-8-fluoro-2-propylquinoline?
The IUPAC name of 4,6-dichloro-8-fluoro-2-propylquinoline (CID 43668690) is 4,6-dichloro-8-fluoro-2-propylquinoline.
What is the SMILES notation for 4,6-dichloro-8-fluoro-2-propylquinoline?
The canonical SMILES for 4,6-dichloro-8-fluoro-2-propylquinoline is CCCc1cc(Cl)c2cc(Cl)cc(F)c2n1.
What is the InChIKey of 4,6-dichloro-8-fluoro-2-propylquinoline?
The InChIKey is NIGSSALCEANAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN/c1-2-3-8-6-10(14)9-4-7(13)5-11(15)12(9)16-8/h4-6H,2-3H2,1H3.
What are the key properties of 4,6-dichloro-8-fluoro-2-propylquinoline?
4,6-dichloro-8-fluoro-2-propylquinoline has a molecular weight of 258.12 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-8-fluoro-2-propylquinoline is sourced from PubChem (CID 43668690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).