2,2-difluoroethyl carbonate

C3H3F2O3- — CID 21263418

IUPAC2,2-difluoroethyl carbonate
SMILESO=C([O-])OCC(F)F
InChIInChI=1S/C3H4F2O3/c4-2(5)1-8-3(6)7/h2H,1H2,(H,6,7)/p-1
InChIKeyIUHZCKVTAFBZNR-UHFFFAOYSA-M
MW125.05 g/mol
LogP-0.39
Rot. Bonds2

About 2,2-difluoroethyl carbonate

2,2-difluoroethyl carbonate (PubChem CID 21263418) has the molecular formula C3H3F2O3- and a molecular weight of 125.05 g/mol. Its IUPAC name is 2,2-difluoroethyl carbonate.

Molecular Properties

Compound Name2,2-difluoroethyl carbonate
PubChem CID21263418
Molecular FormulaC3H3F2O3-
Molecular Weight125.05 g/mol
Exact Mass125.01
IUPAC Name2,2-difluoroethyl carbonate
SMILESO=C([O-])OCC(F)F
InChIInChI=1S/C3H4F2O3/c4-2(5)1-8-3(6)7/h2H,1H2,(H,6,7)/p-1
InChIKeyIUHZCKVTAFBZNR-UHFFFAOYSA-M
XLogP-0.39
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.05
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl carbonate?
The IUPAC name of 2,2-difluoroethyl carbonate (CID 21263418) is 2,2-difluoroethyl carbonate.
What is the SMILES notation for 2,2-difluoroethyl carbonate?
The canonical SMILES for 2,2-difluoroethyl carbonate is O=C([O-])OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl carbonate?
The InChIKey is IUHZCKVTAFBZNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4F2O3/c4-2(5)1-8-3(6)7/h2H,1H2,(H,6,7)/p-1.
What are the key properties of 2,2-difluoroethyl carbonate?
2,2-difluoroethyl carbonate has a molecular weight of 125.05 g/mol, XLogP of -0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl carbonate is sourced from PubChem (CID 21263418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).