4-chloro-6,8-difluoroquinoline

C9H4ClF2N — CID 2736502

IUPAC4-chloro-6,8-difluoroquinoline
SMILESFc1cc(F)c2nccc(Cl)c2c1
InChIInChI=1S/C9H4ClF2N/c10-7-1-2-13-9-6(7)3-5(11)4-8(9)12/h1-4H
InChIKeyNBYDBLFWTPXYFH-UHFFFAOYSA-N
MW199.59 g/mol
LogP3.17
Rot. Bonds

About 4-chloro-6,8-difluoroquinoline

4-chloro-6,8-difluoroquinoline (PubChem CID 2736502) has the molecular formula C9H4ClF2N and a molecular weight of 199.59 g/mol. Its IUPAC name is 4-chloro-6,8-difluoroquinoline.

Molecular Properties

Compound Name4-chloro-6,8-difluoroquinoline
PubChem CID2736502
Molecular FormulaC9H4ClF2N
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC Name4-chloro-6,8-difluoroquinoline
SMILESFc1cc(F)c2nccc(Cl)c2c1
InChIInChI=1S/C9H4ClF2N/c10-7-1-2-13-9-6(7)3-5(11)4-8(9)12/h1-4H
InChIKeyNBYDBLFWTPXYFH-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 53.17
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-difluoroquinoline?
The IUPAC name of 4-chloro-6,8-difluoroquinoline (CID 2736502) is 4-chloro-6,8-difluoroquinoline.
What is the SMILES notation for 4-chloro-6,8-difluoroquinoline?
The canonical SMILES for 4-chloro-6,8-difluoroquinoline is Fc1cc(F)c2nccc(Cl)c2c1.
What is the InChIKey of 4-chloro-6,8-difluoroquinoline?
The InChIKey is NBYDBLFWTPXYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF2N/c10-7-1-2-13-9-6(7)3-5(11)4-8(9)12/h1-4H.
What are the key properties of 4-chloro-6,8-difluoroquinoline?
4-chloro-6,8-difluoroquinoline has a molecular weight of 199.59 g/mol, XLogP of 3.17, 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-difluoroquinoline is sourced from PubChem (CID 2736502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).