(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride

C9H10BrClFN — CID 171197171

IUPAC(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride
SMILESCl.Fc1ccc([C@H]2CCN2)c(Br)c1
InChIInChI=1S/C9H9BrFN.ClH/c10-8-5-6(11)1-2-7(8)9-3-4-12-9;/h1-2,5,9,12H,3-4H2;1H/t9-;/m1./s1
InChIKeyATJQQFUPYJNJRZ-SBSPUUFOSA-N
MW266.54 g/mol
LogP3.04
Rot. Bonds1

About (2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride

(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride (PubChem CID 171197171) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is (2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride
PubChem CID171197171
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride
SMILESCl.Fc1ccc([C@H]2CCN2)c(Br)c1
InChIInChI=1S/C9H9BrFN.ClH/c10-8-5-6(11)1-2-7(8)9-3-4-12-9;/h1-2,5,9,12H,3-4H2;1H/t9-;/m1./s1
InChIKeyATJQQFUPYJNJRZ-SBSPUUFOSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-bromo-4-fluorophenyl)azetidine
CID 131131441
(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
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
(2R)-2-(2-ethyl-5-fluorophenyl)azetidine
CID 55294534
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride?
The IUPAC name of (2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride (CID 171197171) is (2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride?
The canonical SMILES for (2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride is Cl.Fc1ccc([C@H]2CCN2)c(Br)c1.
What is the InChIKey of (2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride?
The InChIKey is ATJQQFUPYJNJRZ-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H9BrFN.ClH/c10-8-5-6(11)1-2-7(8)9-3-4-12-9;/h1-2,5,9,12H,3-4H2;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride?
(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride has a molecular weight of 266.54 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride is sourced from PubChem (CID 171197171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).