5,6,7-trifluoroquinoline

C9H4F3N — CID 91426600

IUPAC5,6,7-trifluoroquinoline
SMILESFc1cc2ncccc2c(F)c1F
InChIInChI=1S/C9H4F3N/c10-6-4-7-5(2-1-3-13-7)8(11)9(6)12/h1-4H
InChIKeyAHFRKPNUPAYCHX-UHFFFAOYSA-N
MW183.13 g/mol
LogP2.65
Rot. Bonds

About 5,6,7-trifluoroquinoline

5,6,7-trifluoroquinoline (PubChem CID 91426600) has the molecular formula C9H4F3N and a molecular weight of 183.13 g/mol. Its IUPAC name is 5,6,7-trifluoroquinoline.

Molecular Properties

Compound Name5,6,7-trifluoroquinoline
PubChem CID91426600
Molecular FormulaC9H4F3N
Molecular Weight183.13 g/mol
Exact Mass183.03
IUPAC Name5,6,7-trifluoroquinoline
SMILESFc1cc2ncccc2c(F)c1F
InChIInChI=1S/C9H4F3N/c10-6-4-7-5(2-1-3-13-7)8(11)9(6)12/h1-4H
InChIKeyAHFRKPNUPAYCHX-UHFFFAOYSA-N
XLogP2.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5,6,7-trifluoroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoroquinoline?
The IUPAC name of 5,6,7-trifluoroquinoline (CID 91426600) is 5,6,7-trifluoroquinoline.
What is the SMILES notation for 5,6,7-trifluoroquinoline?
The canonical SMILES for 5,6,7-trifluoroquinoline is Fc1cc2ncccc2c(F)c1F.
What is the InChIKey of 5,6,7-trifluoroquinoline?
The InChIKey is AHFRKPNUPAYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N/c10-6-4-7-5(2-1-3-13-7)8(11)9(6)12/h1-4H.
What are the key properties of 5,6,7-trifluoroquinoline?
5,6,7-trifluoroquinoline has a molecular weight of 183.13 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoroquinoline is sourced from PubChem (CID 91426600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).