3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol

C12H10F2O4 — CID 157115932

IUPAC3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol
SMILESOc1ccc(F)cc1O.Oc1cccc(F)c1O
InChIInChI=1S/2C6H5FO2/c7-4-1-2-5(8)6(9)3-4;7-4-2-1-3-5(8)6(4)9/h2*1-3,8-9H
InChIKeyAHKCXNOFDFUGKG-UHFFFAOYSA-N
MW256.20 g/mol
LogP2.47
Rot. Bonds

About 3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol

3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol (PubChem CID 157115932) has the molecular formula C12H10F2O4 and a molecular weight of 256.20 g/mol. Its IUPAC name is 3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol
PubChem CID157115932
Molecular FormulaC12H10F2O4
Molecular Weight256.20 g/mol
Exact Mass256.05
IUPAC Name3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol
SMILESOc1ccc(F)cc1O.Oc1cccc(F)c1O
InChIInChI=1S/2C6H5FO2/c7-4-1-2-5(8)6(9)3-4;7-4-2-1-3-5(8)6(4)9/h2*1-3,8-9H
InChIKeyAHKCXNOFDFUGKG-UHFFFAOYSA-N
XLogP2.47
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Catechol
CID 289
4-Fluoro-1,2-benzenediol
CID 160458
3-Fluorocatechol
CID 67764
Pyrocatechol sulfate
CID 3083879
3-Iodobenzene-1,2-diol
CID 18615965
3,5-Difluoro-1,2-benzenediol
CID 21707933
(2-Hydroxyphenoxy)phenylmercury
CID 16684354
Catechol-d4
CID 10630461
2-[(2-Hydroxyphenyl)diselanyl]phenol
CID 5272997
4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol
CID 44563732
3,4-Difluorobenzene-1,2-diol
CID 10034755
2-Hydroxyphenolate
CID 11953850

Frequently Asked Questions

What is the IUPAC name of 3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol?
The IUPAC name of 3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol (CID 157115932) is 3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol.
What is the SMILES notation for 3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol?
The canonical SMILES for 3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol is Oc1ccc(F)cc1O.Oc1cccc(F)c1O.
What is the InChIKey of 3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol?
The InChIKey is AHKCXNOFDFUGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5FO2/c7-4-1-2-5(8)6(9)3-4;7-4-2-1-3-5(8)6(4)9/h2*1-3,8-9H.
What are the key properties of 3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol?
3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol has a molecular weight of 256.20 g/mol, XLogP of 2.47, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol is sourced from PubChem (CID 157115932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).