1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane

C4HF9O2 — CID 150967738

IUPAC1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane
SMILESFC(C(F)(F)F)C(F)(F)OOC(F)(F)F
InChIInChI=1S/C4HF9O2/c5-1(2(6,7)8)3(9,10)14-15-4(11,12)13/h1H
InChIKeyLNLJLHSHHJJFBB-UHFFFAOYSA-N
MW252.03 g/mol
LogP2.95
Rot. Bonds3

About 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane

1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane (PubChem CID 150967738) has the molecular formula C4HF9O2 and a molecular weight of 252.03 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane
PubChem CID150967738
Molecular FormulaC4HF9O2
Molecular Weight252.03 g/mol
Exact Mass251.98
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane
SMILESFC(C(F)(F)F)C(F)(F)OOC(F)(F)F
InChIInChI=1S/C4HF9O2/c5-1(2(6,7)8)3(9,10)14-15-4(11,12)13/h1H
InChIKeyLNLJLHSHHJJFBB-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.03
LogP ≤ 52.95
H-Bond Donors ≤ 50
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 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane (CID 150967738) is 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane is FC(C(F)(F)F)C(F)(F)OOC(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane?
The InChIKey is LNLJLHSHHJJFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O2/c5-1(2(6,7)8)3(9,10)14-15-4(11,12)13/h1H.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane?
1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane has a molecular weight of 252.03 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane is sourced from PubChem (CID 150967738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).