3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine

C13H17BrFN — CID 163262397

IUPAC3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine
SMILESFCCCN1CC(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C13H17BrFN/c14-13-4-2-11(3-5-13)8-12-9-16(10-12)7-1-6-15/h2-5,12H,1,6-10H2
InChIKeyLRJOLYSTVJHZRS-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.28
Rot. Bonds5

About 3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine

3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine (PubChem CID 163262397) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine
PubChem CID163262397
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine
SMILESFCCCN1CC(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C13H17BrFN/c14-13-4-2-11(3-5-13)8-12-9-16(10-12)7-1-6-15/h2-5,12H,1,6-10H2
InChIKeyLRJOLYSTVJHZRS-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine (CID 163262397) is 3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine is FCCCN1CC(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine?
The InChIKey is LRJOLYSTVJHZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-13-4-2-11(3-5-13)8-12-9-16(10-12)7-1-6-15/h2-5,12H,1,6-10H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine?
3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine has a molecular weight of 286.19 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1-(3-fluoropropyl)azetidine is sourced from PubChem (CID 163262397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).