3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine

C13H16BrF2N — CID 163262404

IUPAC3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine
SMILESFC(F)CCN1CC(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C13H16BrF2N/c14-12-3-1-10(2-4-12)7-11-8-17(9-11)6-5-13(15)16/h1-4,11,13H,5-9H2
InChIKeyAFJMGDVQWIQBDC-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.58
Rot. Bonds5

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

3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine (PubChem CID 163262404) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine
PubChem CID163262404
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine
SMILESFC(F)CCN1CC(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C13H16BrF2N/c14-12-3-1-10(2-4-12)7-11-8-17(9-11)6-5-13(15)16/h1-4,11,13H,5-9H2
InChIKeyAFJMGDVQWIQBDC-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine (CID 163262404) is 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine is FC(F)CCN1CC(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine?
The InChIKey is AFJMGDVQWIQBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c14-12-3-1-10(2-4-12)7-11-8-17(9-11)6-5-13(15)16/h1-4,11,13H,5-9H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine?
3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)azetidine has a molecular weight of 304.18 g/mol, XLogP of 3.58, 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-(3,3-difluoropropyl)azetidine is sourced from PubChem (CID 163262404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).