2,2,2-trifluoroethyl hydrogen carbonate

C3H3F3O3 — CID 22924600

IUPAC2,2,2-trifluoroethyl hydrogen carbonate
SMILESO=C(O)OCC(F)(F)F
InChIInChI=1S/C3H3F3O3/c4-3(5,6)1-9-2(7)8/h1H2,(H,7,8)
InChIKeyHJGJHDZQLWWMRT-UHFFFAOYSA-N
MW144.05 g/mol
LogP1.24
Rot. Bonds1

About 2,2,2-trifluoroethyl hydrogen carbonate

2,2,2-trifluoroethyl hydrogen carbonate (PubChem CID 22924600) has the molecular formula C3H3F3O3 and a molecular weight of 144.05 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl hydrogen carbonate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl hydrogen carbonate
PubChem CID22924600
Molecular FormulaC3H3F3O3
Molecular Weight144.05 g/mol
Exact Mass144.00
IUPAC Name2,2,2-trifluoroethyl hydrogen carbonate
SMILESO=C(O)OCC(F)(F)F
InChIInChI=1S/C3H3F3O3/c4-3(5,6)1-9-2(7)8/h1H2,(H,7,8)
InChIKeyHJGJHDZQLWWMRT-UHFFFAOYSA-N
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.05
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl hydrogen carbonate?
The IUPAC name of 2,2,2-trifluoroethyl hydrogen carbonate (CID 22924600) is 2,2,2-trifluoroethyl hydrogen carbonate.
What is the SMILES notation for 2,2,2-trifluoroethyl hydrogen carbonate?
The canonical SMILES for 2,2,2-trifluoroethyl hydrogen carbonate is O=C(O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl hydrogen carbonate?
The InChIKey is HJGJHDZQLWWMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O3/c4-3(5,6)1-9-2(7)8/h1H2,(H,7,8).
What are the key properties of 2,2,2-trifluoroethyl hydrogen carbonate?
2,2,2-trifluoroethyl hydrogen carbonate has a molecular weight of 144.05 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl hydrogen carbonate is sourced from PubChem (CID 22924600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).