2,2,2-trifluoroethyl carbonate

C3H2F3O3- — CID 22924599

IUPAC2,2,2-trifluoroethyl carbonate
SMILESO=C([O-])OCC(F)(F)F
InChIInChI=1S/C3H3F3O3/c4-3(5,6)1-9-2(7)8/h1H2,(H,7,8)/p-1
InChIKeyHJGJHDZQLWWMRT-UHFFFAOYSA-M
MW143.04 g/mol
LogP-0.09
Rot. Bonds1

About 2,2,2-trifluoroethyl carbonate

2,2,2-trifluoroethyl carbonate (PubChem CID 22924599) has the molecular formula C3H2F3O3- and a molecular weight of 143.04 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl carbonate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl carbonate
PubChem CID22924599
Molecular FormulaC3H2F3O3-
Molecular Weight143.04 g/mol
Exact Mass143.00
IUPAC Name2,2,2-trifluoroethyl carbonate
SMILESO=C([O-])OCC(F)(F)F
InChIInChI=1S/C3H3F3O3/c4-3(5,6)1-9-2(7)8/h1H2,(H,7,8)/p-1
InChIKeyHJGJHDZQLWWMRT-UHFFFAOYSA-M
XLogP-0.09
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.04
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl carbonate?
The IUPAC name of 2,2,2-trifluoroethyl carbonate (CID 22924599) is 2,2,2-trifluoroethyl carbonate.
What is the SMILES notation for 2,2,2-trifluoroethyl carbonate?
The canonical SMILES for 2,2,2-trifluoroethyl carbonate is O=C([O-])OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl carbonate?
The InChIKey is HJGJHDZQLWWMRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3F3O3/c4-3(5,6)1-9-2(7)8/h1H2,(H,7,8)/p-1.
What are the key properties of 2,2,2-trifluoroethyl carbonate?
2,2,2-trifluoroethyl carbonate has a molecular weight of 143.04 g/mol, XLogP of -0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl carbonate is sourced from PubChem (CID 22924599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).