1,1-difluoro-2-hydroperoxypropane

C3H6F2O2 — CID 173152216

IUPAC1,1-difluoro-2-hydroperoxypropane
SMILESCC(OO)C(F)F
InChIInChI=1S/C3H6F2O2/c1-2(7-6)3(4)5/h2-3,6H,1H3
InChIKeyKNBSRMCEODCHFN-UHFFFAOYSA-N
MW112.07 g/mol
LogP1.13
Rot. Bonds2

About 1,1-difluoro-2-hydroperoxypropane

1,1-difluoro-2-hydroperoxypropane (PubChem CID 173152216) has the molecular formula C3H6F2O2 and a molecular weight of 112.07 g/mol. Its IUPAC name is 1,1-difluoro-2-hydroperoxypropane.

Molecular Properties

Compound Name1,1-difluoro-2-hydroperoxypropane
PubChem CID173152216
Molecular FormulaC3H6F2O2
Molecular Weight112.07 g/mol
Exact Mass112.03
IUPAC Name1,1-difluoro-2-hydroperoxypropane
SMILESCC(OO)C(F)F
InChIInChI=1S/C3H6F2O2/c1-2(7-6)3(4)5/h2-3,6H,1H3
InChIKeyKNBSRMCEODCHFN-UHFFFAOYSA-N
XLogP1.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.07
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,1-difluoro-2-hydroperoxypropane?
The IUPAC name of 1,1-difluoro-2-hydroperoxypropane (CID 173152216) is 1,1-difluoro-2-hydroperoxypropane.
What is the SMILES notation for 1,1-difluoro-2-hydroperoxypropane?
The canonical SMILES for 1,1-difluoro-2-hydroperoxypropane is CC(OO)C(F)F.
What is the InChIKey of 1,1-difluoro-2-hydroperoxypropane?
The InChIKey is KNBSRMCEODCHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O2/c1-2(7-6)3(4)5/h2-3,6H,1H3.
What are the key properties of 1,1-difluoro-2-hydroperoxypropane?
1,1-difluoro-2-hydroperoxypropane has a molecular weight of 112.07 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-hydroperoxypropane is sourced from PubChem (CID 173152216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).