3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine

C10H11FN2O4 — CID 63599233

IUPAC3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine
SMILESCOc1cc(OC2CNC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H11FN2O4/c1-16-9-3-10(17-6-4-12-5-6)8(13(14)15)2-7(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyUYYMSWCQGWFWRV-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.09
Rot. Bonds4

About 3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine

3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine (PubChem CID 63599233) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is 3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine.

Molecular Properties

Compound Name3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine
PubChem CID63599233
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine
SMILESCOc1cc(OC2CNC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H11FN2O4/c1-16-9-3-10(17-6-4-12-5-6)8(13(14)15)2-7(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyUYYMSWCQGWFWRV-UHFFFAOYSA-N
XLogP1.09
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4,5-difluoro-2-nitrophenoxy)azetidine
CID 139591719
3-(2,5-difluoro-4-nitrophenoxy)azetidine
CID 63597612
4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
CID 103594346
5-(2-fluoro-5-methoxy-4-nitrophenyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107260502
2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine
CID 63598346
3-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]piperidine
CID 107260647
3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine
CID 66079206
1-(4-fluoro-5-methoxy-2-nitrophenyl)-2,5-dimethylpiperazine
CID 64983519
3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine
CID 115556274
6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one
CID 63105926
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
N-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 107260460

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine?
The IUPAC name of 3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine (CID 63599233) is 3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine.
What is the SMILES notation for 3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine?
The canonical SMILES for 3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine is COc1cc(OC2CNC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine?
The InChIKey is UYYMSWCQGWFWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-16-9-3-10(17-6-4-12-5-6)8(13(14)15)2-7(9)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine?
3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine has a molecular weight of 242.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine is sourced from PubChem (CID 63599233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).