1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane

C4F10O3 — CID 141163022

IUPAC1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane
SMILESFC(F)(F)C(F)(F)OOOC(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O3/c5-1(6,7)3(11,12)15-17-16-4(13,14)2(8,9)10
InChIKeyIXZNOTGGYSKBTQ-UHFFFAOYSA-N
MW286.02 g/mol
LogP3.18
Rot. Bonds4

About 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane

1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane (PubChem CID 141163022) has the molecular formula C4F10O3 and a molecular weight of 286.02 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane
PubChem CID141163022
Molecular FormulaC4F10O3
Molecular Weight286.02 g/mol
Exact Mass285.97
IUPAC Name1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane
SMILESFC(F)(F)C(F)(F)OOOC(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O3/c5-1(6,7)3(11,12)15-17-16-4(13,14)2(8,9)10
InChIKeyIXZNOTGGYSKBTQ-UHFFFAOYSA-N
XLogP3.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.02
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

1-[[[[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2,2-pentafluoroethane
CID 175196171
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane
CID 11805140
1-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
1,1,1,2,2-pentafluoro-2-(pentafluoro-lambda6-selanyl)oxyethane
CID 14026600
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylperoxy)heptane
CID 139654060
oxo(1,1,2,2,2-pentafluoroethoxy)phosphanium
CID 123471378
1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
CID 2775955
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
CID 160879773
dioxido(1,1,2,2,2-pentafluoroethoxy)borane
CID 154095446
1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane
CID 20606324
1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butane
CID 11325674

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane (CID 141163022) is 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane is FC(F)(F)C(F)(F)OOOC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane?
The InChIKey is IXZNOTGGYSKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10O3/c5-1(6,7)3(11,12)15-17-16-4(13,14)2(8,9)10.
What are the key properties of 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane?
1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane has a molecular weight of 286.02 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane is sourced from PubChem (CID 141163022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).