2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane

C3H3F5O3 — CID 101451281

IUPAC2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane
SMILESOOC(OC(F)F)C(F)(F)F
InChIInChI=1S/C3H3F5O3/c4-2(5)10-1(11-9)3(6,7)8/h1-2,9H
InChIKeyMIFSNPSWBFYRTD-UHFFFAOYSA-N
MW182.04 g/mol
LogP1.60
Rot. Bonds3

About 2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane

2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane (PubChem CID 101451281) has the molecular formula C3H3F5O3 and a molecular weight of 182.04 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane
PubChem CID101451281
Molecular FormulaC3H3F5O3
Molecular Weight182.04 g/mol
Exact Mass182.00
IUPAC Name2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane
SMILESOOC(OC(F)F)C(F)(F)F
InChIInChI=1S/C3H3F5O3/c4-2(5)10-1(11-9)3(6,7)8/h1-2,9H
InChIKeyMIFSNPSWBFYRTD-UHFFFAOYSA-N
XLogP1.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.04
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-(difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
1,1,2,2-tetrafluoro-3-hydroperoxypropane
CID 162542165
2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane
CID 87586525
fluoro hypofluorite;1,1,1,2,2-pentafluoroethane
CID 174898665
1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane
CID 44599462
dichloromethoxy(difluoro)methane
CID 10997218
2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol
CID 86050515
CID 102523763
CID 102523763
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
1,2,3,3,3-pentafluoropropan-1-ol
CID 23510551
1,2,2,2-tetrafluoroethyl-λ2-stannane
CID 174539767
1,2,2,2-tetrafluoroethanethiol
CID 57068914

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane?
The IUPAC name of 2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane (CID 101451281) is 2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane.
What is the SMILES notation for 2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane?
The canonical SMILES for 2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane is OOC(OC(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane?
The InChIKey is MIFSNPSWBFYRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O3/c4-2(5)10-1(11-9)3(6,7)8/h1-2,9H.
What are the key properties of 2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane?
2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane has a molecular weight of 182.04 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,1,1-trifluoro-2-hydroperoxyethane is sourced from PubChem (CID 101451281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).