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

C16H15BrFN — CID 79461032

IUPAC3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine
SMILESFc1ccc(CC2(c3cccc(Br)c3)CNC2)cc1
InChIInChI=1S/C16H15BrFN/c17-14-3-1-2-13(8-14)16(10-19-11-16)9-12-4-6-15(18)7-5-12/h1-8,19H,9-11H2
InChIKeyVWSACPPEUNJKGF-UHFFFAOYSA-N
MW320.21 g/mol
LogP3.67
Rot. Bonds3

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

3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine (PubChem CID 79461032) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine
PubChem CID79461032
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine
SMILESFc1ccc(CC2(c3cccc(Br)c3)CNC2)cc1
InChIInChI=1S/C16H15BrFN/c17-14-3-1-2-13(8-14)16(10-19-11-16)9-12-4-6-15(18)7-5-12/h1-8,19H,9-11H2
InChIKeyVWSACPPEUNJKGF-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine?
The IUPAC name of 3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine (CID 79461032) is 3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine.
What is the SMILES notation for 3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine?
The canonical SMILES for 3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine is Fc1ccc(CC2(c3cccc(Br)c3)CNC2)cc1.
What is the InChIKey of 3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine?
The InChIKey is VWSACPPEUNJKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-14-3-1-2-13(8-14)16(10-19-11-16)9-12-4-6-15(18)7-5-12/h1-8,19H,9-11H2.
What are the key properties of 3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine?
3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine has a molecular weight of 320.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine is sourced from PubChem (CID 79461032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).