2-ethyl-6,8-difluoroquinoline

C11H9F2N — CID 51361067

IUPAC2-ethyl-6,8-difluoroquinoline
SMILESCCc1ccc2cc(F)cc(F)c2n1
InChIInChI=1S/C11H9F2N/c1-2-9-4-3-7-5-8(12)6-10(13)11(7)14-9/h3-6H,2H2,1H3
InChIKeyBUZLATQAKPOWKR-UHFFFAOYSA-N
MW193.20 g/mol
LogP3.08
Rot. Bonds1

About 2-ethyl-6,8-difluoroquinoline

2-ethyl-6,8-difluoroquinoline (PubChem CID 51361067) has the molecular formula C11H9F2N and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-ethyl-6,8-difluoroquinoline.

Molecular Properties

Compound Name2-ethyl-6,8-difluoroquinoline
PubChem CID51361067
Molecular FormulaC11H9F2N
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-ethyl-6,8-difluoroquinoline
SMILESCCc1ccc2cc(F)cc(F)c2n1
InChIInChI=1S/C11H9F2N/c1-2-9-4-3-7-5-8(12)6-10(13)11(7)14-9/h3-6H,2H2,1H3
InChIKeyBUZLATQAKPOWKR-UHFFFAOYSA-N
XLogP3.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,8-difluoroquinoline?
The IUPAC name of 2-ethyl-6,8-difluoroquinoline (CID 51361067) is 2-ethyl-6,8-difluoroquinoline.
What is the SMILES notation for 2-ethyl-6,8-difluoroquinoline?
The canonical SMILES for 2-ethyl-6,8-difluoroquinoline is CCc1ccc2cc(F)cc(F)c2n1.
What is the InChIKey of 2-ethyl-6,8-difluoroquinoline?
The InChIKey is BUZLATQAKPOWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N/c1-2-9-4-3-7-5-8(12)6-10(13)11(7)14-9/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-6,8-difluoroquinoline?
2-ethyl-6,8-difluoroquinoline has a molecular weight of 193.20 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,8-difluoroquinoline is sourced from PubChem (CID 51361067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).