1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate

C8H2F12O6 — CID 14512230

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate
SMILESO=C(OOC(=O)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F12O6/c9-5(10,11)1(6(12,13)14)23-3(21)25-26-4(22)24-2(7(15,16)17)8(18,19)20/h1-2H
InChIKeyZRYOJMNEAOCXHW-UHFFFAOYSA-N
MW422.07 g/mol
LogP4.19
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate

1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate (PubChem CID 14512230) has the molecular formula C8H2F12O6 and a molecular weight of 422.07 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate
PubChem CID14512230
Molecular FormulaC8H2F12O6
Molecular Weight422.07 g/mol
Exact Mass421.97
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate
SMILESO=C(OOC(=O)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F12O6/c9-5(10,11)1(6(12,13)14)23-3(21)25-26-4(22)24-2(7(15,16)17)8(18,19)20/h1-2H
InChIKeyZRYOJMNEAOCXHW-UHFFFAOYSA-N
XLogP4.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.07
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate (CID 14512230) is 1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate is O=C(OOC(=O)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate?
The InChIKey is ZRYOJMNEAOCXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F12O6/c9-5(10,11)1(6(12,13)14)23-3(21)25-26-4(22)24-2(7(15,16)17)8(18,19)20/h1-2H.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate?
1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate has a molecular weight of 422.07 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyloxy carbonate is sourced from PubChem (CID 14512230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).