ethyl 2-fluoroethyl carbonate

C5H9FO3 — CID 54427264

IUPACethyl 2-fluoroethyl carbonate
SMILESCCOC(=O)OCCF
InChIInChI=1S/C5H9FO3/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3
InChIKeyXLHKMGHXUXYDQJ-UHFFFAOYSA-N
MW136.12 g/mol
LogP1.13
Rot. Bonds3

About ethyl 2-fluoroethyl carbonate

ethyl 2-fluoroethyl carbonate (PubChem CID 54427264) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is ethyl 2-fluoroethyl carbonate.

Molecular Properties

Compound Nameethyl 2-fluoroethyl carbonate
PubChem CID54427264
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Nameethyl 2-fluoroethyl carbonate
SMILESCCOC(=O)OCCF
InChIInChI=1S/C5H9FO3/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3
InChIKeyXLHKMGHXUXYDQJ-UHFFFAOYSA-N
XLogP1.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-fluoroethyl 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 2-fluoroethyl carbonate?
The IUPAC name of ethyl 2-fluoroethyl carbonate (CID 54427264) is ethyl 2-fluoroethyl carbonate.
What is the SMILES notation for ethyl 2-fluoroethyl carbonate?
The canonical SMILES for ethyl 2-fluoroethyl carbonate is CCOC(=O)OCCF.
What is the InChIKey of ethyl 2-fluoroethyl carbonate?
The InChIKey is XLHKMGHXUXYDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3.
What are the key properties of ethyl 2-fluoroethyl carbonate?
ethyl 2-fluoroethyl carbonate has a molecular weight of 136.12 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoroethyl carbonate is sourced from PubChem (CID 54427264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).