5,5,6,6,7,7,8,8-octafluoroquinoline

C9H3F8N — CID 15579768

IUPAC5,5,6,6,7,7,8,8-octafluoroquinoline
SMILESFC1(F)c2cccnc2C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H3F8N/c10-6(11)4-2-1-3-18-5(4)7(12,13)9(16,17)8(6,14)15/h1-3H
InChIKeyNXZZUCICIBCAPN-UHFFFAOYSA-N
MW277.11 g/mol
LogP3.55
Rot. Bonds

About 5,5,6,6,7,7,8,8-octafluoroquinoline

5,5,6,6,7,7,8,8-octafluoroquinoline (PubChem CID 15579768) has the molecular formula C9H3F8N and a molecular weight of 277.11 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8-octafluoroquinoline.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8-octafluoroquinoline
PubChem CID15579768
Molecular FormulaC9H3F8N
Molecular Weight277.11 g/mol
Exact Mass277.01
IUPAC Name5,5,6,6,7,7,8,8-octafluoroquinoline
SMILESFC1(F)c2cccnc2C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H3F8N/c10-6(11)4-2-1-3-18-5(4)7(12,13)9(16,17)8(6,14)15/h1-3H
InChIKeyNXZZUCICIBCAPN-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8-octafluoroquinoline?
The IUPAC name of 5,5,6,6,7,7,8,8-octafluoroquinoline (CID 15579768) is 5,5,6,6,7,7,8,8-octafluoroquinoline.
What is the SMILES notation for 5,5,6,6,7,7,8,8-octafluoroquinoline?
The canonical SMILES for 5,5,6,6,7,7,8,8-octafluoroquinoline is FC1(F)c2cccnc2C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8-octafluoroquinoline?
The InChIKey is NXZZUCICIBCAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F8N/c10-6(11)4-2-1-3-18-5(4)7(12,13)9(16,17)8(6,14)15/h1-3H.
What are the key properties of 5,5,6,6,7,7,8,8-octafluoroquinoline?
5,5,6,6,7,7,8,8-octafluoroquinoline has a molecular weight of 277.11 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8-octafluoroquinoline is sourced from PubChem (CID 15579768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).