carbon dioxide;difluoromethoxy(difluoro)methane

C3H2F4O3 — CID 88791514

IUPACcarbon dioxide;difluoromethoxy(difluoro)methane
SMILESFC(F)OC(F)F.O=C=O
InChIInChI=1S/C2H2F4O.CO2/c3-1(4)7-2(5)6;2-1-3/h1-2H;
InChIKeyAYSKXMCXHZUPRA-UHFFFAOYSA-N
MW162.04 g/mol
LogP0.86
Rot. Bonds2

About carbon dioxide;difluoromethoxy(difluoro)methane

carbon dioxide;difluoromethoxy(difluoro)methane (PubChem CID 88791514) has the molecular formula C3H2F4O3 and a molecular weight of 162.04 g/mol. Its IUPAC name is carbon dioxide;difluoromethoxy(difluoro)methane.

Molecular Properties

Compound Namecarbon dioxide;difluoromethoxy(difluoro)methane
PubChem CID88791514
Molecular FormulaC3H2F4O3
Molecular Weight162.04 g/mol
Exact Mass161.99
IUPAC Namecarbon dioxide;difluoromethoxy(difluoro)methane
SMILESFC(F)OC(F)F.O=C=O
InChIInChI=1S/C2H2F4O.CO2/c3-1(4)7-2(5)6;2-1-3/h1-2H;
InChIKeyAYSKXMCXHZUPRA-UHFFFAOYSA-N
XLogP0.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.04
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbonofluoridic acid, trifluoromethyl ester
CID 541789
Fluoromethyl carbonofluoridate
CID 10887833
Fluoromethanoic acid difluoromethyl ester
CID 12713324
Fluoromethyl trifluoromethyl carbonate
CID 20871002
Bis(difluoromethyl) carbonate
CID 87079886
Difluoromethyl trifluoromethyl carbonate
CID 87314296
Difluoromethyl fluoro carbonate
CID 175146613

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;difluoromethoxy(difluoro)methane?
The IUPAC name of carbon dioxide;difluoromethoxy(difluoro)methane (CID 88791514) is carbon dioxide;difluoromethoxy(difluoro)methane.
What is the SMILES notation for carbon dioxide;difluoromethoxy(difluoro)methane?
The canonical SMILES for carbon dioxide;difluoromethoxy(difluoro)methane is FC(F)OC(F)F.O=C=O.
What is the InChIKey of carbon dioxide;difluoromethoxy(difluoro)methane?
The InChIKey is AYSKXMCXHZUPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O.CO2/c3-1(4)7-2(5)6;2-1-3/h1-2H;.
What are the key properties of carbon dioxide;difluoromethoxy(difluoro)methane?
carbon dioxide;difluoromethoxy(difluoro)methane has a molecular weight of 162.04 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;difluoromethoxy(difluoro)methane is sourced from PubChem (CID 88791514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).