difluoromethyl hydrogen carbonate

C2H2F2O3 — CID 84715997

IUPACdifluoromethyl hydrogen carbonate
SMILESO=C(O)OC(F)F
InChIInChI=1S/C2H2F2O3/c3-1(4)7-2(5)6/h1H,(H,5,6)
InChIKeyNYILXFZCOKQWAO-UHFFFAOYSA-N
MW112.03 g/mol
LogP0.90
Rot. Bonds1

About difluoromethyl hydrogen carbonate

difluoromethyl hydrogen carbonate (PubChem CID 84715997) has the molecular formula C2H2F2O3 and a molecular weight of 112.03 g/mol. Its IUPAC name is difluoromethyl hydrogen carbonate.

Molecular Properties

Compound Namedifluoromethyl hydrogen carbonate
PubChem CID84715997
Molecular FormulaC2H2F2O3
Molecular Weight112.03 g/mol
Exact Mass112.00
IUPAC Namedifluoromethyl hydrogen carbonate
SMILESO=C(O)OC(F)F
InChIInChI=1S/C2H2F2O3/c3-1(4)7-2(5)6/h1H,(H,5,6)
InChIKeyNYILXFZCOKQWAO-UHFFFAOYSA-N
XLogP0.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.03
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of difluoromethyl hydrogen carbonate?
The IUPAC name of difluoromethyl hydrogen carbonate (CID 84715997) is difluoromethyl hydrogen carbonate.
What is the SMILES notation for difluoromethyl hydrogen carbonate?
The canonical SMILES for difluoromethyl hydrogen carbonate is O=C(O)OC(F)F.
What is the InChIKey of difluoromethyl hydrogen carbonate?
The InChIKey is NYILXFZCOKQWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2O3/c3-1(4)7-2(5)6/h1H,(H,5,6).
What are the key properties of difluoromethyl hydrogen carbonate?
difluoromethyl hydrogen carbonate has a molecular weight of 112.03 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl hydrogen carbonate is sourced from PubChem (CID 84715997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).