ethyl fluoromethyl carbonate

C4H7FO3 — CID 86229236

IUPACethyl fluoromethyl carbonate
SMILESCCOC(=O)OCF
InChIInChI=1S/C4H7FO3/c1-2-7-4(6)8-3-5/h2-3H2,1H3
InChIKeyUHHPUKUEMKPCII-UHFFFAOYSA-N
MW122.09 g/mol
LogP1.09
Rot. Bonds2

About ethyl fluoromethyl carbonate

ethyl fluoromethyl carbonate (PubChem CID 86229236) has the molecular formula C4H7FO3 and a molecular weight of 122.09 g/mol. Its IUPAC name is ethyl fluoromethyl carbonate.

Molecular Properties

Compound Nameethyl fluoromethyl carbonate
PubChem CID86229236
Molecular FormulaC4H7FO3
Molecular Weight122.09 g/mol
Exact Mass122.04
IUPAC Nameethyl fluoromethyl carbonate
SMILESCCOC(=O)OCF
InChIInChI=1S/C4H7FO3/c1-2-7-4(6)8-3-5/h2-3H2,1H3
InChIKeyUHHPUKUEMKPCII-UHFFFAOYSA-N
XLogP1.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl fluoromethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl fluoromethyl carbonate?
The IUPAC name of ethyl fluoromethyl carbonate (CID 86229236) is ethyl fluoromethyl carbonate.
What is the SMILES notation for ethyl fluoromethyl carbonate?
The canonical SMILES for ethyl fluoromethyl carbonate is CCOC(=O)OCF.
What is the InChIKey of ethyl fluoromethyl carbonate?
The InChIKey is UHHPUKUEMKPCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3/c1-2-7-4(6)8-3-5/h2-3H2,1H3.
What are the key properties of ethyl fluoromethyl carbonate?
ethyl fluoromethyl carbonate has a molecular weight of 122.09 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl fluoromethyl carbonate is sourced from PubChem (CID 86229236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).