(2S)-2-(2-bromo-4-fluorophenyl)azetidine

C9H9BrFN — CID 131131441

IUPAC(2S)-2-(2-bromo-4-fluorophenyl)azetidine
SMILESFc1ccc([C@@H]2CCN2)c(Br)c1
InChIInChI=1S/C9H9BrFN/c10-8-5-6(11)1-2-7(8)9-3-4-12-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1
InChIKeyHWRRIKORXXLJKN-VIFPVBQESA-N
MW230.08 g/mol
LogP2.62
Rot. Bonds1

About (2S)-2-(2-bromo-4-fluorophenyl)azetidine

(2S)-2-(2-bromo-4-fluorophenyl)azetidine (PubChem CID 131131441) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is (2S)-2-(2-bromo-4-fluorophenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(2-bromo-4-fluorophenyl)azetidine
PubChem CID131131441
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name(2S)-2-(2-bromo-4-fluorophenyl)azetidine
SMILESFc1ccc([C@@H]2CCN2)c(Br)c1
InChIInChI=1S/C9H9BrFN/c10-8-5-6(11)1-2-7(8)9-3-4-12-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1
InChIKeyHWRRIKORXXLJKN-VIFPVBQESA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(2-bromo-4-fluorophenyl)azetidine with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride
CID 171197171
(2S)-2-(2-bromo-5-fluorophenyl)azetidine
CID 130681917
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
CID 79016148
2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine
CID 146633764
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
2-(azetidin-2-yl)-6-bromo-4-fluorophenol
CID 131124098
2-[(2R)-azetidin-2-yl]-6-bromo-4-fluorophenol
CID 130983518
2-[(2S)-azetidin-2-yl]-4-fluorophenol
CID 55277686
(2R)-2-(2-ethyl-5-fluorophenyl)azetidine
CID 55294534
2-(azetidin-2-yl)-4-fluorobenzoic acid
CID 55297261
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromo-4-fluorophenyl)azetidine?
The IUPAC name of (2S)-2-(2-bromo-4-fluorophenyl)azetidine (CID 131131441) is (2S)-2-(2-bromo-4-fluorophenyl)azetidine.
What is the SMILES notation for (2S)-2-(2-bromo-4-fluorophenyl)azetidine?
The canonical SMILES for (2S)-2-(2-bromo-4-fluorophenyl)azetidine is Fc1ccc([C@@H]2CCN2)c(Br)c1.
What is the InChIKey of (2S)-2-(2-bromo-4-fluorophenyl)azetidine?
The InChIKey is HWRRIKORXXLJKN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9BrFN/c10-8-5-6(11)1-2-7(8)9-3-4-12-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1.
What are the key properties of (2S)-2-(2-bromo-4-fluorophenyl)azetidine?
(2S)-2-(2-bromo-4-fluorophenyl)azetidine has a molecular weight of 230.08 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromo-4-fluorophenyl)azetidine is sourced from PubChem (CID 131131441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).