2,3,3-trifluoro-2-iodooxetane

C3H2F3IO — CID 19853415

IUPAC2,3,3-trifluoro-2-iodooxetane
SMILESFC1(F)COC1(F)I
InChIInChI=1S/C3H2F3IO/c4-2(5)1-8-3(2,6)7/h1H2
InChIKeyKTFRFTJHIMMJMV-UHFFFAOYSA-N
MW237.95 g/mol
LogP1.71
Rot. Bonds

About 2,3,3-trifluoro-2-iodooxetane

2,3,3-trifluoro-2-iodooxetane (PubChem CID 19853415) has the molecular formula C3H2F3IO and a molecular weight of 237.95 g/mol. Its IUPAC name is 2,3,3-trifluoro-2-iodooxetane.

Molecular Properties

Compound Name2,3,3-trifluoro-2-iodooxetane
PubChem CID19853415
Molecular FormulaC3H2F3IO
Molecular Weight237.95 g/mol
Exact Mass237.91
IUPAC Name2,3,3-trifluoro-2-iodooxetane
SMILESFC1(F)COC1(F)I
InChIInChI=1S/C3H2F3IO/c4-2(5)1-8-3(2,6)7/h1H2
InChIKeyKTFRFTJHIMMJMV-UHFFFAOYSA-N
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.95
LogP ≤ 51.71
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 2,3,3-trifluoro-2-iodooxetane?
The IUPAC name of 2,3,3-trifluoro-2-iodooxetane (CID 19853415) is 2,3,3-trifluoro-2-iodooxetane.
What is the SMILES notation for 2,3,3-trifluoro-2-iodooxetane?
The canonical SMILES for 2,3,3-trifluoro-2-iodooxetane is FC1(F)COC1(F)I.
What is the InChIKey of 2,3,3-trifluoro-2-iodooxetane?
The InChIKey is KTFRFTJHIMMJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3IO/c4-2(5)1-8-3(2,6)7/h1H2.
What are the key properties of 2,3,3-trifluoro-2-iodooxetane?
2,3,3-trifluoro-2-iodooxetane has a molecular weight of 237.95 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-2-iodooxetane is sourced from PubChem (CID 19853415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).