3-fluoro-3-(4-iodophenyl)azetidine

C9H9FIN — CID 126651530

IUPAC3-fluoro-3-(4-iodophenyl)azetidine
SMILESFC1(c2ccc(I)cc2)CNC1
InChIInChI=1S/C9H9FIN/c10-9(5-12-6-9)7-1-3-8(11)4-2-7/h1-4,12H,5-6H2
InChIKeyMDOPBHIDEJQZTQ-UHFFFAOYSA-N
MW277.08 g/mol
LogP2.06
Rot. Bonds1

About 3-fluoro-3-(4-iodophenyl)azetidine

3-fluoro-3-(4-iodophenyl)azetidine (PubChem CID 126651530) has the molecular formula C9H9FIN and a molecular weight of 277.08 g/mol. Its IUPAC name is 3-fluoro-3-(4-iodophenyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(4-iodophenyl)azetidine
PubChem CID126651530
Molecular FormulaC9H9FIN
Molecular Weight277.08 g/mol
Exact Mass276.98
IUPAC Name3-fluoro-3-(4-iodophenyl)azetidine
SMILESFC1(c2ccc(I)cc2)CNC1
InChIInChI=1S/C9H9FIN/c10-9(5-12-6-9)7-1-3-8(11)4-2-7/h1-4,12H,5-6H2
InChIKeyMDOPBHIDEJQZTQ-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-iodophenyl)azetidine?
The IUPAC name of 3-fluoro-3-(4-iodophenyl)azetidine (CID 126651530) is 3-fluoro-3-(4-iodophenyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(4-iodophenyl)azetidine?
The canonical SMILES for 3-fluoro-3-(4-iodophenyl)azetidine is FC1(c2ccc(I)cc2)CNC1.
What is the InChIKey of 3-fluoro-3-(4-iodophenyl)azetidine?
The InChIKey is MDOPBHIDEJQZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FIN/c10-9(5-12-6-9)7-1-3-8(11)4-2-7/h1-4,12H,5-6H2.
What are the key properties of 3-fluoro-3-(4-iodophenyl)azetidine?
3-fluoro-3-(4-iodophenyl)azetidine has a molecular weight of 277.08 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-iodophenyl)azetidine is sourced from PubChem (CID 126651530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).