1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene

C7H3F5O3 — CID 170082049

IUPAC1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene
SMILESOOCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5O3/c8-2-3(9)5(11)7(14-1-15-13)6(12)4(2)10/h13H,1H2
InChIKeyZFJVLTFHWDVZEB-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.21
Rot. Bonds3

About 1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene

1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene (PubChem CID 170082049) has the molecular formula C7H3F5O3 and a molecular weight of 230.09 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene
PubChem CID170082049
Molecular FormulaC7H3F5O3
Molecular Weight230.09 g/mol
Exact Mass230.00
IUPAC Name1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene
SMILESOOCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5O3/c8-2-3(9)5(11)7(14-1-15-13)6(12)4(2)10/h13H,1H2
InChIKeyZFJVLTFHWDVZEB-UHFFFAOYSA-N
XLogP2.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene (CID 170082049) is 1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene is OOCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene?
The InChIKey is ZFJVLTFHWDVZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5O3/c8-2-3(9)5(11)7(14-1-15-13)6(12)4(2)10/h13H,1H2.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene?
1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene has a molecular weight of 230.09 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene is sourced from PubChem (CID 170082049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).