1,1,2,2-tetrafluoro-3-hydroperoxypropane

C3H4F4O2 — CID 162542165

IUPAC1,1,2,2-tetrafluoro-3-hydroperoxypropane
SMILESOOCC(F)(F)C(F)F
InChIInChI=1S/C3H4F4O2/c4-2(5)3(6,7)1-9-8/h2,8H,1H2
InChIKeyZTQQDFIWMMPEEK-UHFFFAOYSA-N
MW148.05 g/mol
LogP1.38
Rot. Bonds3

About 1,1,2,2-tetrafluoro-3-hydroperoxypropane

1,1,2,2-tetrafluoro-3-hydroperoxypropane (PubChem CID 162542165) has the molecular formula C3H4F4O2 and a molecular weight of 148.05 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-hydroperoxypropane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-hydroperoxypropane
PubChem CID162542165
Molecular FormulaC3H4F4O2
Molecular Weight148.05 g/mol
Exact Mass148.01
IUPAC Name1,1,2,2-tetrafluoro-3-hydroperoxypropane
SMILESOOCC(F)(F)C(F)F
InChIInChI=1S/C3H4F4O2/c4-2(5)3(6,7)1-9-8/h2,8H,1H2
InChIKeyZTQQDFIWMMPEEK-UHFFFAOYSA-N
XLogP1.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.05
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-3-hydroperoxypropane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-hydroperoxypropane (CID 162542165) is 1,1,2,2-tetrafluoro-3-hydroperoxypropane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-hydroperoxypropane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-hydroperoxypropane is OOCC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-hydroperoxypropane?
The InChIKey is ZTQQDFIWMMPEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O2/c4-2(5)3(6,7)1-9-8/h2,8H,1H2.
What are the key properties of 1,1,2,2-tetrafluoro-3-hydroperoxypropane?
1,1,2,2-tetrafluoro-3-hydroperoxypropane has a molecular weight of 148.05 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-hydroperoxypropane is sourced from PubChem (CID 162542165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).