bis(2-fluoroethyl) carbonate

C5H8F2O3 — CID 9840

IUPACbis(2-fluoroethyl) carbonate
SMILESO=C(OCCF)OCCF
InChIInChI=1S/C5H8F2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H2
InChIKeyYZWIIIGEQKTIMS-UHFFFAOYSA-N
MW154.11 g/mol
LogP1.08
Rot. Bonds4

About bis(2-fluoroethyl) carbonate

bis(2-fluoroethyl) carbonate (PubChem CID 9840) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is bis(2-fluoroethyl) carbonate.

Molecular Properties

Compound Namebis(2-fluoroethyl) carbonate
PubChem CID9840
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Namebis(2-fluoroethyl) carbonate
SMILESO=C(OCCF)OCCF
InChIInChI=1S/C5H8F2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H2
InChIKeyYZWIIIGEQKTIMS-UHFFFAOYSA-N
XLogP1.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2-fluoroethyl) carbonate?
The IUPAC name of bis(2-fluoroethyl) carbonate (CID 9840) is bis(2-fluoroethyl) carbonate.
What is the SMILES notation for bis(2-fluoroethyl) carbonate?
The canonical SMILES for bis(2-fluoroethyl) carbonate is O=C(OCCF)OCCF.
What is the InChIKey of bis(2-fluoroethyl) carbonate?
The InChIKey is YZWIIIGEQKTIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H2.
What are the key properties of bis(2-fluoroethyl) carbonate?
bis(2-fluoroethyl) carbonate has a molecular weight of 154.11 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluoroethyl) carbonate is sourced from PubChem (CID 9840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).