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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Related Compounds

(2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate
CID 145086138
2,3-difluoro-4-(2-fluorobutoxy)phenol
CID 148965171
4-hydroperoxy-2-methylbenzene-1,3-diol
CID 87370519
4-[(2,3-difluoro-4-methyl-1-bicyclo[2.2.2]oct-2-enyl)-difluoromethoxy]-2,3-difluorophenol
CID 88566513
2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
CID 147972497
2,3-difluoro-4-(hydroxymethyl)phenol
CID 67042893
2,4-difluorobenzene-1,3-diol
CID 10844515
4-[4-(4-ethoxy-2,3-difluorophenyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2,3-difluorophenol
CID 163497672
5-bromo-2-hydroperoxyphenol
CID 88803523
4,6-difluoro-7-methoxydibenzofuran-3-ol
CID 118372765
2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776098
4,6-difluoro-7-methoxydibenzothiophen-3-ol
CID 131993041

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).