ethyl 2,2,2-trifluoroethyl carbonate

C5H7F3O3 — CID 21263423

IUPACethyl 2,2,2-trifluoroethyl carbonate
SMILESCCOC(=O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3
InChIKeyNIQAXIMIQJNOKY-UHFFFAOYSA-N
MW172.10 g/mol
LogP1.72
Rot. Bonds2

About ethyl 2,2,2-trifluoroethyl carbonate

ethyl 2,2,2-trifluoroethyl carbonate (PubChem CID 21263423) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is ethyl 2,2,2-trifluoroethyl carbonate.

Molecular Properties

Compound Nameethyl 2,2,2-trifluoroethyl carbonate
PubChem CID21263423
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Nameethyl 2,2,2-trifluoroethyl carbonate
SMILESCCOC(=O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3
InChIKeyNIQAXIMIQJNOKY-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,2-trifluoroethyl carbonate?
The IUPAC name of ethyl 2,2,2-trifluoroethyl carbonate (CID 21263423) is ethyl 2,2,2-trifluoroethyl carbonate.
What is the SMILES notation for ethyl 2,2,2-trifluoroethyl carbonate?
The canonical SMILES for ethyl 2,2,2-trifluoroethyl carbonate is CCOC(=O)OCC(F)(F)F.
What is the InChIKey of ethyl 2,2,2-trifluoroethyl carbonate?
The InChIKey is NIQAXIMIQJNOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3.
What are the key properties of ethyl 2,2,2-trifluoroethyl carbonate?
ethyl 2,2,2-trifluoroethyl carbonate has a molecular weight of 172.10 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,2-trifluoroethyl carbonate is sourced from PubChem (CID 21263423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).