2,3-difluoro-4-hydroperoxyphenol

C6H4F2O3 — CID 158823013

IUPAC2,3-difluoro-4-hydroperoxyphenol
SMILESOOc1ccc(O)c(F)c1F
InChIInChI=1S/C6H4F2O3/c7-5-3(9)1-2-4(11-10)6(5)8/h1-2,9-10H
InChIKeyIWCLIXDPCUEWAM-UHFFFAOYSA-N
MW162.09 g/mol
LogP1.52
Rot. Bonds1

About 2,3-difluoro-4-hydroperoxyphenol

2,3-difluoro-4-hydroperoxyphenol (PubChem CID 158823013) has the molecular formula C6H4F2O3 and a molecular weight of 162.09 g/mol. Its IUPAC name is 2,3-difluoro-4-hydroperoxyphenol.

Molecular Properties

Compound Name2,3-difluoro-4-hydroperoxyphenol
PubChem CID158823013
Molecular FormulaC6H4F2O3
Molecular Weight162.09 g/mol
Exact Mass162.01
IUPAC Name2,3-difluoro-4-hydroperoxyphenol
SMILESOOc1ccc(O)c(F)c1F
InChIInChI=1S/C6H4F2O3/c7-5-3(9)1-2-4(11-10)6(5)8/h1-2,9-10H
InChIKeyIWCLIXDPCUEWAM-UHFFFAOYSA-N
XLogP1.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-hydroperoxyphenol?
The IUPAC name of 2,3-difluoro-4-hydroperoxyphenol (CID 158823013) is 2,3-difluoro-4-hydroperoxyphenol.
What is the SMILES notation for 2,3-difluoro-4-hydroperoxyphenol?
The canonical SMILES for 2,3-difluoro-4-hydroperoxyphenol is OOc1ccc(O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-hydroperoxyphenol?
The InChIKey is IWCLIXDPCUEWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O3/c7-5-3(9)1-2-4(11-10)6(5)8/h1-2,9-10H.
What are the key properties of 2,3-difluoro-4-hydroperoxyphenol?
2,3-difluoro-4-hydroperoxyphenol has a molecular weight of 162.09 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-hydroperoxyphenol is sourced from PubChem (CID 158823013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).