3-fluoro-3-iodooxetane

C3H4FIO — CID 126629928

IUPAC3-fluoro-3-iodooxetane
SMILESFC1(I)COC1
InChIInChI=1S/C3H4FIO/c4-3(5)1-6-2-3/h1-2H2
InChIKeyGTKMCTOXAKMUBU-UHFFFAOYSA-N
MW201.97 g/mol
LogP1.12
Rot. Bonds

About 3-fluoro-3-iodooxetane

3-fluoro-3-iodooxetane (PubChem CID 126629928) has the molecular formula C3H4FIO and a molecular weight of 201.97 g/mol. Its IUPAC name is 3-fluoro-3-iodooxetane.

Molecular Properties

Compound Name3-fluoro-3-iodooxetane
PubChem CID126629928
Molecular FormulaC3H4FIO
Molecular Weight201.97 g/mol
Exact Mass201.93
IUPAC Name3-fluoro-3-iodooxetane
SMILESFC1(I)COC1
InChIInChI=1S/C3H4FIO/c4-3(5)1-6-2-3/h1-2H2
InChIKeyGTKMCTOXAKMUBU-UHFFFAOYSA-N
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.97
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-fluoro-3-iodooxetane?
The IUPAC name of 3-fluoro-3-iodooxetane (CID 126629928) is 3-fluoro-3-iodooxetane.
What is the SMILES notation for 3-fluoro-3-iodooxetane?
The canonical SMILES for 3-fluoro-3-iodooxetane is FC1(I)COC1.
What is the InChIKey of 3-fluoro-3-iodooxetane?
The InChIKey is GTKMCTOXAKMUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FIO/c4-3(5)1-6-2-3/h1-2H2.
What are the key properties of 3-fluoro-3-iodooxetane?
3-fluoro-3-iodooxetane has a molecular weight of 201.97 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-iodooxetane is sourced from PubChem (CID 126629928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).