bis(difluoromethyl) carbonate

C3H2F4O3 — CID 87079886

IUPACbis(difluoromethyl) carbonate
SMILESO=C(OC(F)F)OC(F)F
InChIInChI=1S/C3H2F4O3/c4-1(5)9-3(8)10-2(6)7/h1-2H
InChIKeyGUQJDWWGHRDAQN-UHFFFAOYSA-N
MW162.04 g/mol
LogP1.58
Rot. Bonds2

About bis(difluoromethyl) carbonate

bis(difluoromethyl) carbonate (PubChem CID 87079886) has the molecular formula C3H2F4O3 and a molecular weight of 162.04 g/mol. Its IUPAC name is bis(difluoromethyl) carbonate.

Molecular Properties

Compound Namebis(difluoromethyl) carbonate
PubChem CID87079886
Molecular FormulaC3H2F4O3
Molecular Weight162.04 g/mol
Exact Mass161.99
IUPAC Namebis(difluoromethyl) carbonate
SMILESO=C(OC(F)F)OC(F)F
InChIInChI=1S/C3H2F4O3/c4-1(5)9-3(8)10-2(6)7/h1-2H
InChIKeyGUQJDWWGHRDAQN-UHFFFAOYSA-N
XLogP1.58
TPSA35.53 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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(difluoromethyl) carbonate?
The IUPAC name of bis(difluoromethyl) carbonate (CID 87079886) is bis(difluoromethyl) carbonate.
What is the SMILES notation for bis(difluoromethyl) carbonate?
The canonical SMILES for bis(difluoromethyl) carbonate is O=C(OC(F)F)OC(F)F.
What is the InChIKey of bis(difluoromethyl) carbonate?
The InChIKey is GUQJDWWGHRDAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O3/c4-1(5)9-3(8)10-2(6)7/h1-2H.
What are the key properties of bis(difluoromethyl) carbonate?
bis(difluoromethyl) carbonate has a molecular weight of 162.04 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(difluoromethyl) carbonate is sourced from PubChem (CID 87079886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).