2-iodoethyl formate

C3H5IO2 — CID 18329598

IUPAC2-iodoethyl formate
SMILESO=COCCI
InChIInChI=1S/C3H5IO2/c4-1-2-6-3-5/h3H,1-2H2
InChIKeyZOXNMWRIXHLEMM-UHFFFAOYSA-N
MW199.97 g/mol
LogP0.59
Rot. Bonds3

About 2-iodoethyl formate

2-iodoethyl formate (PubChem CID 18329598) has the molecular formula C3H5IO2 and a molecular weight of 199.97 g/mol. Its IUPAC name is 2-iodoethyl formate.

Molecular Properties

Compound Name2-iodoethyl formate
PubChem CID18329598
Molecular FormulaC3H5IO2
Molecular Weight199.97 g/mol
Exact Mass199.93
IUPAC Name2-iodoethyl formate
SMILESO=COCCI
InChIInChI=1S/C3H5IO2/c4-1-2-6-3-5/h3H,1-2H2
InChIKeyZOXNMWRIXHLEMM-UHFFFAOYSA-N
XLogP0.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.97
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodoethyl formate?
The IUPAC name of 2-iodoethyl formate (CID 18329598) is 2-iodoethyl formate.
What is the SMILES notation for 2-iodoethyl formate?
The canonical SMILES for 2-iodoethyl formate is O=COCCI.
What is the InChIKey of 2-iodoethyl formate?
The InChIKey is ZOXNMWRIXHLEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IO2/c4-1-2-6-3-5/h3H,1-2H2.
What are the key properties of 2-iodoethyl formate?
2-iodoethyl formate has a molecular weight of 199.97 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoethyl formate is sourced from PubChem (CID 18329598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).