6-fluoronaphthalene-1,2,8-triol

C10H7FO3 — CID 22497895

IUPAC6-fluoronaphthalene-1,2,8-triol
SMILESOc1ccc2cc(F)cc(O)c2c1O
InChIInChI=1S/C10H7FO3/c11-6-3-5-1-2-7(12)10(14)9(5)8(13)4-6/h1-4,12-14H
InChIKeyBFABRLKJRJTWOO-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.10
Rot. Bonds

About 6-fluoronaphthalene-1,2,8-triol

6-fluoronaphthalene-1,2,8-triol (PubChem CID 22497895) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is 6-fluoronaphthalene-1,2,8-triol.

Molecular Properties

Compound Name6-fluoronaphthalene-1,2,8-triol
PubChem CID22497895
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name6-fluoronaphthalene-1,2,8-triol
SMILESOc1ccc2cc(F)cc(O)c2c1O
InChIInChI=1S/C10H7FO3/c11-6-3-5-1-2-7(12)10(14)9(5)8(13)4-6/h1-4,12-14H
InChIKeyBFABRLKJRJTWOO-UHFFFAOYSA-N
XLogP2.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.10
H-Bond Donors ≤ 53
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 6-fluoronaphthalene-1,2,8-triol?
The IUPAC name of 6-fluoronaphthalene-1,2,8-triol (CID 22497895) is 6-fluoronaphthalene-1,2,8-triol.
What is the SMILES notation for 6-fluoronaphthalene-1,2,8-triol?
The canonical SMILES for 6-fluoronaphthalene-1,2,8-triol is Oc1ccc2cc(F)cc(O)c2c1O.
What is the InChIKey of 6-fluoronaphthalene-1,2,8-triol?
The InChIKey is BFABRLKJRJTWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c11-6-3-5-1-2-7(12)10(14)9(5)8(13)4-6/h1-4,12-14H.
What are the key properties of 6-fluoronaphthalene-1,2,8-triol?
6-fluoronaphthalene-1,2,8-triol has a molecular weight of 194.16 g/mol, XLogP of 2.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoronaphthalene-1,2,8-triol is sourced from PubChem (CID 22497895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).