5-fluorobenzene-1,3-diol

C6H5FO2 — CID 12658778

IUPAC5-fluorobenzene-1,3-diol
SMILESOc1cc(O)cc(F)c1
InChIInChI=1S/C6H5FO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
InChIKeyLYFBZGKZAZBANN-UHFFFAOYSA-N
MW128.10 g/mol
LogP1.24
Rot. Bonds

About 5-fluorobenzene-1,3-diol

5-fluorobenzene-1,3-diol (PubChem CID 12658778) has the molecular formula C6H5FO2 and a molecular weight of 128.10 g/mol. Its IUPAC name is 5-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name5-fluorobenzene-1,3-diol
PubChem CID12658778
Molecular FormulaC6H5FO2
Molecular Weight128.10 g/mol
Exact Mass128.03
IUPAC Name5-fluorobenzene-1,3-diol
SMILESOc1cc(O)cc(F)c1
InChIInChI=1S/C6H5FO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
InChIKeyLYFBZGKZAZBANN-UHFFFAOYSA-N
XLogP1.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluorobenzene-1,3-diol?
The IUPAC name of 5-fluorobenzene-1,3-diol (CID 12658778) is 5-fluorobenzene-1,3-diol.
What is the SMILES notation for 5-fluorobenzene-1,3-diol?
The canonical SMILES for 5-fluorobenzene-1,3-diol is Oc1cc(O)cc(F)c1.
What is the InChIKey of 5-fluorobenzene-1,3-diol?
The InChIKey is LYFBZGKZAZBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H.
What are the key properties of 5-fluorobenzene-1,3-diol?
5-fluorobenzene-1,3-diol has a molecular weight of 128.10 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorobenzene-1,3-diol is sourced from PubChem (CID 12658778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).