2-fluoro-3,6-dihydroxybenzaldehyde

C7H5FO3 — CID 84763685

IUPAC2-fluoro-3,6-dihydroxybenzaldehyde
SMILESO=Cc1c(O)ccc(O)c1F
InChIInChI=1S/C7H5FO3/c8-7-4(3-9)5(10)1-2-6(7)11/h1-3,10-11H
InChIKeyLXAASBOARREOKB-UHFFFAOYSA-N
MW156.11 g/mol
LogP1.05
Rot. Bonds1

About 2-fluoro-3,6-dihydroxybenzaldehyde

2-fluoro-3,6-dihydroxybenzaldehyde (PubChem CID 84763685) has the molecular formula C7H5FO3 and a molecular weight of 156.11 g/mol. Its IUPAC name is 2-fluoro-3,6-dihydroxybenzaldehyde.

Molecular Properties

Compound Name2-fluoro-3,6-dihydroxybenzaldehyde
PubChem CID84763685
Molecular FormulaC7H5FO3
Molecular Weight156.11 g/mol
Exact Mass156.02
IUPAC Name2-fluoro-3,6-dihydroxybenzaldehyde
SMILESO=Cc1c(O)ccc(O)c1F
InChIInChI=1S/C7H5FO3/c8-7-4(3-9)5(10)1-2-6(7)11/h1-3,10-11H
InChIKeyLXAASBOARREOKB-UHFFFAOYSA-N
XLogP1.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,6-dihydroxybenzaldehyde?
The IUPAC name of 2-fluoro-3,6-dihydroxybenzaldehyde (CID 84763685) is 2-fluoro-3,6-dihydroxybenzaldehyde.
What is the SMILES notation for 2-fluoro-3,6-dihydroxybenzaldehyde?
The canonical SMILES for 2-fluoro-3,6-dihydroxybenzaldehyde is O=Cc1c(O)ccc(O)c1F.
What is the InChIKey of 2-fluoro-3,6-dihydroxybenzaldehyde?
The InChIKey is LXAASBOARREOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO3/c8-7-4(3-9)5(10)1-2-6(7)11/h1-3,10-11H.
What are the key properties of 2-fluoro-3,6-dihydroxybenzaldehyde?
2-fluoro-3,6-dihydroxybenzaldehyde has a molecular weight of 156.11 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,6-dihydroxybenzaldehyde is sourced from PubChem (CID 84763685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).