3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine

C11H13FN2O3 — CID 107391619

IUPAC3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine
SMILESO=[N+]([O-])c1ccc(OCCC2CNC2)c(F)c1
InChIInChI=1S/C11H13FN2O3/c12-10-5-9(14(15)16)1-2-11(10)17-4-3-8-6-13-7-8/h1-2,5,8,13H,3-4,6-7H2
InChIKeyPGJJOHQZEZZELF-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.72
Rot. Bonds5

About 3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine

3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine (PubChem CID 107391619) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine
PubChem CID107391619
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine
SMILESO=[N+]([O-])c1ccc(OCCC2CNC2)c(F)c1
InChIInChI=1S/C11H13FN2O3/c12-10-5-9(14(15)16)1-2-11(10)17-4-3-8-6-13-7-8/h1-2,5,8,13H,3-4,6-7H2
InChIKeyPGJJOHQZEZZELF-UHFFFAOYSA-N
XLogP1.72
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[2-(2-methoxy-5-nitrophenoxy)ethyl]azetidine
CID 107391611
3-[2-(2-methyl-4-nitrophenoxy)ethyl]pyrrolidine
CID 114796274
1-butoxy-2-fluoro-4-nitrobenzene
CID 69029927
4-(2-fluoro-4-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 65256974
3-(2-fluoro-4-nitrophenoxy)propanal
CID 63039286
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
3-[2-(4-nitrophenyl)sulfanylethyl]azetidine
CID 107391956
4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 105061240
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665
3-[(2-methoxy-5-nitrophenoxy)methyl]azetidine
CID 112745306

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine?
The IUPAC name of 3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine (CID 107391619) is 3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine.
What is the SMILES notation for 3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine?
The canonical SMILES for 3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine is O=[N+]([O-])c1ccc(OCCC2CNC2)c(F)c1.
What is the InChIKey of 3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine?
The InChIKey is PGJJOHQZEZZELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-10-5-9(14(15)16)1-2-11(10)17-4-3-8-6-13-7-8/h1-2,5,8,13H,3-4,6-7H2.
What are the key properties of 3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine?
3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine has a molecular weight of 240.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoro-4-nitrophenoxy)ethyl]azetidine is sourced from PubChem (CID 107391619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).