(2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine

C10H11FN2O2 — CID 125464520

IUPAC(2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine
SMILESO=[N+]([O-])c1ccccc1C[C@@H]1NC[C@@H]1F
InChIInChI=1S/C10H11FN2O2/c11-8-6-12-9(8)5-7-3-1-2-4-10(7)13(14)15/h1-4,8-9,12H,5-6H2/t8-,9-/m0/s1
InChIKeyOMIDSGIYRHTSAP-IUCAKERBSA-N
MW210.21 g/mol
LogP1.45
Rot. Bonds3

About (2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine

(2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine (PubChem CID 125464520) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is (2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine.

Molecular Properties

Compound Name(2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine
PubChem CID125464520
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name(2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine
SMILESO=[N+]([O-])c1ccccc1C[C@@H]1NC[C@@H]1F
InChIInChI=1S/C10H11FN2O2/c11-8-6-12-9(8)5-7-3-1-2-4-10(7)13(14)15/h1-4,8-9,12H,5-6H2/t8-,9-/m0/s1
InChIKeyOMIDSGIYRHTSAP-IUCAKERBSA-N
XLogP1.45
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.45
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

4-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398238
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CID 11923
(3S,4S)-4-[(2-nitrophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 125427217
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
(2-nitrophenyl)methyl thiohypofluorite
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1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
2-[(2-nitrophenyl)methyl]cyclohex-3-en-1-one
CID 175837380
1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 63471642
3-[(2-nitrophenyl)methylsulfinylmethyl]azetidine
CID 81197195
1-[(2-nitrophenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 15293063
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine?
The IUPAC name of (2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine (CID 125464520) is (2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine.
What is the SMILES notation for (2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine?
The canonical SMILES for (2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine is O=[N+]([O-])c1ccccc1C[C@@H]1NC[C@@H]1F.
What is the InChIKey of (2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine?
The InChIKey is OMIDSGIYRHTSAP-IUCAKERBSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-8-6-12-9(8)5-7-3-1-2-4-10(7)13(14)15/h1-4,8-9,12H,5-6H2/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine?
(2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine has a molecular weight of 210.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-fluoro-2-[(2-nitrophenyl)methyl]azetidine is sourced from PubChem (CID 125464520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).