2-iodopropyl formate

C4H7IO2 — CID 87289117

IUPAC2-iodopropyl formate
SMILESCC(I)COC=O
InChIInChI=1S/C4H7IO2/c1-4(5)2-7-3-6/h3-4H,2H2,1H3
InChIKeyAHTFPNZVAOLDPY-UHFFFAOYSA-N
MW214.00 g/mol
LogP0.98
Rot. Bonds3

About 2-iodopropyl formate

2-iodopropyl formate (PubChem CID 87289117) has the molecular formula C4H7IO2 and a molecular weight of 214.00 g/mol. Its IUPAC name is 2-iodopropyl formate.

Molecular Properties

Compound Name2-iodopropyl formate
PubChem CID87289117
Molecular FormulaC4H7IO2
Molecular Weight214.00 g/mol
Exact Mass213.95
IUPAC Name2-iodopropyl formate
SMILESCC(I)COC=O
InChIInChI=1S/C4H7IO2/c1-4(5)2-7-3-6/h3-4H,2H2,1H3
InChIKeyAHTFPNZVAOLDPY-UHFFFAOYSA-N
XLogP0.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.00
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl formate;propanenitrile
CID 88724713
(3-ethyl-2,3-dimethylpentyl) formate
CID 87470285
2-methyldecyl formate
CID 174806813
2-ethylpentyl formate
CID 19982810
2-(3-methylbutoxy)butyl formate
CID 58489169
lithium;ethyl formate;hydroxide
CID 174914217
2-propoxybutyl formate
CID 56995849
2-cyclopentylpropyl formate
CID 89150762
2,4-diethylheptyl formate
CID 54536990
2-iodopropyl carbamate
CID 87289235
(5-formyloxy-3-methylpentyl) formate
CID 91318391
calcium;ethyl formate;dichloride
CID 174827324

Frequently Asked Questions

What is the IUPAC name of 2-iodopropyl formate?
The IUPAC name of 2-iodopropyl formate (CID 87289117) is 2-iodopropyl formate.
What is the SMILES notation for 2-iodopropyl formate?
The canonical SMILES for 2-iodopropyl formate is CC(I)COC=O.
What is the InChIKey of 2-iodopropyl formate?
The InChIKey is AHTFPNZVAOLDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IO2/c1-4(5)2-7-3-6/h3-4H,2H2,1H3.
What are the key properties of 2-iodopropyl formate?
2-iodopropyl formate has a molecular weight of 214.00 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopropyl formate is sourced from PubChem (CID 87289117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).