[[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate

C5F10O9 — CID 101039884

IUPAC[[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate
SMILESO=C(F)OOC(F)(F)OOC(F)(F)OOC(F)(F)OO[13C](F)(F)F
InChIInChI=1S/C5F10O9/c6-1(16)17-19-3(10,11)21-23-5(14,15)24-22-4(12,13)20-18-2(7,8)9/i2+1
InChIKeyKZSLBDUDZFHERC-VQEHIDDOSA-N
MW395.02 g/mol
LogP3.04
Rot. Bonds10

About [[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate

[[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate (PubChem CID 101039884) has the molecular formula C5F10O9 and a molecular weight of 395.02 g/mol. Its IUPAC name is [[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate.

Molecular Properties

Compound Name[[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate
PubChem CID101039884
Molecular FormulaC5F10O9
Molecular Weight395.02 g/mol
Exact Mass394.94
IUPAC Name[[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate
SMILESO=C(F)OOC(F)(F)OOC(F)(F)OOC(F)(F)OO[13C](F)(F)F
InChIInChI=1S/C5F10O9/c6-1(16)17-19-3(10,11)21-23-5(14,15)24-22-4(12,13)20-18-2(7,8)9/i2+1
InChIKeyKZSLBDUDZFHERC-VQEHIDDOSA-N
XLogP3.04
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.02
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of [[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate?
The IUPAC name of [[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate (CID 101039884) is [[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate.
What is the SMILES notation for [[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate?
The canonical SMILES for [[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate is O=C(F)OOC(F)(F)OOC(F)(F)OOC(F)(F)OO[13C](F)(F)F.
What is the InChIKey of [[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate?
The InChIKey is KZSLBDUDZFHERC-VQEHIDDOSA-N. The full InChI is InChI=1S/C5F10O9/c6-1(16)17-19-3(10,11)21-23-5(14,15)24-22-4(12,13)20-18-2(7,8)9/i2+1.
What are the key properties of [[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate?
[[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate has a molecular weight of 395.02 g/mol, XLogP of 3.04, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [[[difluoro(trifluoro(113C)methylperoxy)methyl]peroxy-difluoromethyl]peroxy-difluoromethoxy] carbonofluoridate is sourced from PubChem (CID 101039884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).