2-(trifluoromethyl)quinoline-6,7-diol

C10H6F3NO2 — CID 135735543

IUPAC2-(trifluoromethyl)quinoline-6,7-diol
SMILESOc1cc2ccc(C(F)(F)F)nc2cc1O
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)9-2-1-5-3-7(15)8(16)4-6(5)14-9/h1-4,15-16H
InChIKeyMXPMFQIMGFDHNJ-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.66
Rot. Bonds

About 2-(trifluoromethyl)quinoline-6,7-diol

2-(trifluoromethyl)quinoline-6,7-diol (PubChem CID 135735543) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 2-(trifluoromethyl)quinoline-6,7-diol.

Molecular Properties

Compound Name2-(trifluoromethyl)quinoline-6,7-diol
PubChem CID135735543
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name2-(trifluoromethyl)quinoline-6,7-diol
SMILESOc1cc2ccc(C(F)(F)F)nc2cc1O
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)9-2-1-5-3-7(15)8(16)4-6(5)14-9/h1-4,15-16H
InChIKeyMXPMFQIMGFDHNJ-UHFFFAOYSA-N
XLogP2.66
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)quinoline-6,7-diol?
The IUPAC name of 2-(trifluoromethyl)quinoline-6,7-diol (CID 135735543) is 2-(trifluoromethyl)quinoline-6,7-diol.
What is the SMILES notation for 2-(trifluoromethyl)quinoline-6,7-diol?
The canonical SMILES for 2-(trifluoromethyl)quinoline-6,7-diol is Oc1cc2ccc(C(F)(F)F)nc2cc1O.
What is the InChIKey of 2-(trifluoromethyl)quinoline-6,7-diol?
The InChIKey is MXPMFQIMGFDHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)9-2-1-5-3-7(15)8(16)4-6(5)14-9/h1-4,15-16H.
What are the key properties of 2-(trifluoromethyl)quinoline-6,7-diol?
2-(trifluoromethyl)quinoline-6,7-diol has a molecular weight of 229.16 g/mol, XLogP of 2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)quinoline-6,7-diol is sourced from PubChem (CID 135735543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).