1-fluoroethyl methyl carbonate

C4H7FO3 — CID 11586304

IUPAC1-fluoroethyl methyl carbonate
SMILESCOC(=O)OC(C)F
InChIInChI=1S/C4H7FO3/c1-3(5)8-4(6)7-2/h3H,1-2H3
InChIKeyGQOHLWDAFMGAAB-UHFFFAOYSA-N
MW122.09 g/mol
LogP1.08
Rot. Bonds1

About 1-fluoroethyl methyl carbonate

1-fluoroethyl methyl carbonate (PubChem CID 11586304) has the molecular formula C4H7FO3 and a molecular weight of 122.09 g/mol. Its IUPAC name is 1-fluoroethyl methyl carbonate.

Molecular Properties

Compound Name1-fluoroethyl methyl carbonate
PubChem CID11586304
Molecular FormulaC4H7FO3
Molecular Weight122.09 g/mol
Exact Mass122.04
IUPAC Name1-fluoroethyl methyl carbonate
SMILESCOC(=O)OC(C)F
InChIInChI=1S/C4H7FO3/c1-3(5)8-4(6)7-2/h3H,1-2H3
InChIKeyGQOHLWDAFMGAAB-UHFFFAOYSA-N
XLogP1.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl methyl carbonate?
The IUPAC name of 1-fluoroethyl methyl carbonate (CID 11586304) is 1-fluoroethyl methyl carbonate.
What is the SMILES notation for 1-fluoroethyl methyl carbonate?
The canonical SMILES for 1-fluoroethyl methyl carbonate is COC(=O)OC(C)F.
What is the InChIKey of 1-fluoroethyl methyl carbonate?
The InChIKey is GQOHLWDAFMGAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3/c1-3(5)8-4(6)7-2/h3H,1-2H3.
What are the key properties of 1-fluoroethyl methyl carbonate?
1-fluoroethyl methyl carbonate has a molecular weight of 122.09 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl methyl carbonate is sourced from PubChem (CID 11586304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).