3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine

C16H15FIN — CID 79460170

IUPAC3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine
SMILESFc1ccc(C2(Cc3ccc(I)cc3)CNC2)cc1
InChIInChI=1S/C16H15FIN/c17-14-5-3-13(4-6-14)16(10-19-11-16)9-12-1-7-15(18)8-2-12/h1-8,19H,9-11H2
InChIKeyBPWGIXBPOLYJAU-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.51
Rot. Bonds3

About 3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine

3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine (PubChem CID 79460170) has the molecular formula C16H15FIN and a molecular weight of 367.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine
PubChem CID79460170
Molecular FormulaC16H15FIN
Molecular Weight367.21 g/mol
Exact Mass367.02
IUPAC Name3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine
SMILESFc1ccc(C2(Cc3ccc(I)cc3)CNC2)cc1
InChIInChI=1S/C16H15FIN/c17-14-5-3-13(4-6-14)16(10-19-11-16)9-12-1-7-15(18)8-2-12/h1-8,19H,9-11H2
InChIKeyBPWGIXBPOLYJAU-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79451271
3-(4-fluorophenyl)-3-(furan-3-ylmethyl)azetidine
CID 83183543
3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79461032
3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine
CID 79451883
3-fluoro-3-[(4-fluorophenyl)methyl]azetidine
CID 112563497
3-benzyl-3-(4-methylphenyl)azetidine
CID 79452492
3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 114350031
3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine
CID 79460562
3-fluoro-3-(4-iodophenyl)azetidine
CID 126651530
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
CID 79460489
3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 79460976
3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
CID 102621662

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine?
The IUPAC name of 3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine (CID 79460170) is 3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine?
The canonical SMILES for 3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine is Fc1ccc(C2(Cc3ccc(I)cc3)CNC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine?
The InChIKey is BPWGIXBPOLYJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FIN/c17-14-5-3-13(4-6-14)16(10-19-11-16)9-12-1-7-15(18)8-2-12/h1-8,19H,9-11H2.
What are the key properties of 3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine?
3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine has a molecular weight of 367.21 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[(4-iodophenyl)methyl]azetidine is sourced from PubChem (CID 79460170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).