trifluoromethoxycarbonyl trifluoromethyl carbonate

C8F12O10 — CID 158204157

IUPACtrifluoromethoxycarbonyl trifluoromethyl carbonate
SMILESO=C(OC(=O)OC(F)(F)F)OC(F)(F)F.O=C(OC(=O)OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/2C4F6O5/c2*5-3(6,7)14-1(11)13-2(12)15-4(8,9)10
InChIKeyGBHGBZFDEVEHSC-UHFFFAOYSA-N
MW484.05 g/mol
LogP4.63
Rot. Bonds

About trifluoromethoxycarbonyl trifluoromethyl carbonate

trifluoromethoxycarbonyl trifluoromethyl carbonate (PubChem CID 158204157) has the molecular formula C8F12O10 and a molecular weight of 484.05 g/mol. Its IUPAC name is trifluoromethoxycarbonyl trifluoromethyl carbonate.

Molecular Properties

Compound Nametrifluoromethoxycarbonyl trifluoromethyl carbonate
PubChem CID158204157
Molecular FormulaC8F12O10
Molecular Weight484.05 g/mol
Exact Mass483.93
IUPAC Nametrifluoromethoxycarbonyl trifluoromethyl carbonate
SMILESO=C(OC(=O)OC(F)(F)F)OC(F)(F)F.O=C(OC(=O)OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/2C4F6O5/c2*5-3(6,7)14-1(11)13-2(12)15-4(8,9)10
InChIKeyGBHGBZFDEVEHSC-UHFFFAOYSA-N
XLogP4.63
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.05
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trifluoromethoxycarbonyl trifluoromethyl carbonate?
The IUPAC name of trifluoromethoxycarbonyl trifluoromethyl carbonate (CID 158204157) is trifluoromethoxycarbonyl trifluoromethyl carbonate.
What is the SMILES notation for trifluoromethoxycarbonyl trifluoromethyl carbonate?
The canonical SMILES for trifluoromethoxycarbonyl trifluoromethyl carbonate is O=C(OC(=O)OC(F)(F)F)OC(F)(F)F.O=C(OC(=O)OC(F)(F)F)OC(F)(F)F.
What is the InChIKey of trifluoromethoxycarbonyl trifluoromethyl carbonate?
The InChIKey is GBHGBZFDEVEHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4F6O5/c2*5-3(6,7)14-1(11)13-2(12)15-4(8,9)10.
What are the key properties of trifluoromethoxycarbonyl trifluoromethyl carbonate?
trifluoromethoxycarbonyl trifluoromethyl carbonate has a molecular weight of 484.05 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethoxycarbonyl trifluoromethyl carbonate is sourced from PubChem (CID 158204157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).