(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride

C9H10ClFN2O2 — CID 171196811

IUPAC(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(F)c([C@@H]2CCN2)c1
InChIInChI=1S/C9H9FN2O2.ClH/c10-8-2-1-6(12(13)14)5-7(8)9-3-4-11-9;/h1-2,5,9,11H,3-4H2;1H/t9-;/m0./s1
InChIKeyDGTPGXVCVCFQAC-FVGYRXGTSA-N
MW232.64 g/mol
LogP2.19
Rot. Bonds2

About (2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride

(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride (PubChem CID 171196811) has the molecular formula C9H10ClFN2O2 and a molecular weight of 232.64 g/mol. Its IUPAC name is (2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride
PubChem CID171196811
Molecular FormulaC9H10ClFN2O2
Molecular Weight232.64 g/mol
Exact Mass232.04
IUPAC Name(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(F)c([C@@H]2CCN2)c1
InChIInChI=1S/C9H9FN2O2.ClH/c10-8-2-1-6(12(13)14)5-7(8)9-3-4-11-9;/h1-2,5,9,11H,3-4H2;1H/t9-;/m0./s1
InChIKeyDGTPGXVCVCFQAC-FVGYRXGTSA-N
XLogP2.19
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-fluoro-5-nitrophenyl)piperazine
CID 171193757
2-(2-fluoro-5-nitrophenyl)azetidine-3-carbonitrile
CID 175483475
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
(2S)-2-(4-fluoro-3-nitrophenyl)azetidine
CID 55278282
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
CID 171197239
(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine
CID 66519478
(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride
CID 171225548
2-(2,4-dinitrophenyl)azepane
CID 57177004
2-fluoro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540772
(2R)-2-(5-nitrofuran-2-yl)azetidine
CID 55263737
2-fluoro-5-nitrobenzenesulfonic acid;hydrochloride
CID 174777146
(2S)-2-(5-nitrofuran-2-yl)azetidine
CID 130737797

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride?
The IUPAC name of (2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride (CID 171196811) is (2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride.
What is the SMILES notation for (2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride?
The canonical SMILES for (2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride is Cl.O=[N+]([O-])c1ccc(F)c([C@@H]2CCN2)c1.
What is the InChIKey of (2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride?
The InChIKey is DGTPGXVCVCFQAC-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H9FN2O2.ClH/c10-8-2-1-6(12(13)14)5-7(8)9-3-4-11-9;/h1-2,5,9,11H,3-4H2;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride?
(2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride has a molecular weight of 232.64 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoro-5-nitrophenyl)azetidine;hydrochloride is sourced from PubChem (CID 171196811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).