3-(fluoromethyl)-1-iodoazetidine

C4H7FIN — CID 118372813

IUPAC3-(fluoromethyl)-1-iodoazetidine
SMILESFCC1CN(I)C1
InChIInChI=1S/C4H7FIN/c5-1-4-2-7(6)3-4/h4H,1-3H2
InChIKeyQZNPUYODOPQGEY-UHFFFAOYSA-N
MW215.01 g/mol
LogP1.24
Rot. Bonds1

About 3-(fluoromethyl)-1-iodoazetidine

3-(fluoromethyl)-1-iodoazetidine (PubChem CID 118372813) has the molecular formula C4H7FIN and a molecular weight of 215.01 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-iodoazetidine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-iodoazetidine
PubChem CID118372813
Molecular FormulaC4H7FIN
Molecular Weight215.01 g/mol
Exact Mass214.96
IUPAC Name3-(fluoromethyl)-1-iodoazetidine
SMILESFCC1CN(I)C1
InChIInChI=1S/C4H7FIN/c5-1-4-2-7(6)3-4/h4H,1-3H2
InChIKeyQZNPUYODOPQGEY-UHFFFAOYSA-N
XLogP1.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.01
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-iodoazetidine?
The IUPAC name of 3-(fluoromethyl)-1-iodoazetidine (CID 118372813) is 3-(fluoromethyl)-1-iodoazetidine.
What is the SMILES notation for 3-(fluoromethyl)-1-iodoazetidine?
The canonical SMILES for 3-(fluoromethyl)-1-iodoazetidine is FCC1CN(I)C1.
What is the InChIKey of 3-(fluoromethyl)-1-iodoazetidine?
The InChIKey is QZNPUYODOPQGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FIN/c5-1-4-2-7(6)3-4/h4H,1-3H2.
What are the key properties of 3-(fluoromethyl)-1-iodoazetidine?
3-(fluoromethyl)-1-iodoazetidine has a molecular weight of 215.01 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-iodoazetidine is sourced from PubChem (CID 118372813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).