3-(2,3-difluoro-6-nitrophenoxy)azetidine

C9H8F2N2O3 — CID 63105342

IUPAC3-(2,3-difluoro-6-nitrophenoxy)azetidine
SMILESO=[N+]([O-])c1ccc(F)c(F)c1OC1CNC1
InChIInChI=1S/C9H8F2N2O3/c10-6-1-2-7(13(14)15)9(8(6)11)16-5-3-12-4-5/h1-2,5,12H,3-4H2
InChIKeyDSOVIFDBYLHNDB-UHFFFAOYSA-N
MW230.17 g/mol
LogP1.22
Rot. Bonds3

About 3-(2,3-difluoro-6-nitrophenoxy)azetidine

3-(2,3-difluoro-6-nitrophenoxy)azetidine (PubChem CID 63105342) has the molecular formula C9H8F2N2O3 and a molecular weight of 230.17 g/mol. Its IUPAC name is 3-(2,3-difluoro-6-nitrophenoxy)azetidine.

Molecular Properties

Compound Name3-(2,3-difluoro-6-nitrophenoxy)azetidine
PubChem CID63105342
Molecular FormulaC9H8F2N2O3
Molecular Weight230.17 g/mol
Exact Mass230.05
IUPAC Name3-(2,3-difluoro-6-nitrophenoxy)azetidine
SMILESO=[N+]([O-])c1ccc(F)c(F)c1OC1CNC1
InChIInChI=1S/C9H8F2N2O3/c10-6-1-2-7(13(14)15)9(8(6)11)16-5-3-12-4-5/h1-2,5,12H,3-4H2
InChIKeyDSOVIFDBYLHNDB-UHFFFAOYSA-N
XLogP1.22
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 51.22
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-(4,5-difluoro-2-nitrophenoxy)azetidine
CID 139591719
3-(2,5-difluoro-4-nitrophenoxy)azetidine
CID 63597612
1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene
CID 118830267
8-(azetidin-3-yloxy)-5-nitroisoquinoline
CID 103142857
3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine
CID 63599233
N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine
CID 66181559
4-(2,3-difluoro-6-nitrophenoxy)phenol
CID 55086265
3-[(5-chloro-2-nitrophenyl)methoxy]azetidine
CID 79580917
3-(2,6-difluoro-3-nitrophenyl)pyrrolidine
CID 130039488
3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride
CID 134524404
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
1-(2,3-difluoro-6-nitrophenyl)-2,5-dimethylpiperazine
CID 64983469

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-6-nitrophenoxy)azetidine?
The IUPAC name of 3-(2,3-difluoro-6-nitrophenoxy)azetidine (CID 63105342) is 3-(2,3-difluoro-6-nitrophenoxy)azetidine.
What is the SMILES notation for 3-(2,3-difluoro-6-nitrophenoxy)azetidine?
The canonical SMILES for 3-(2,3-difluoro-6-nitrophenoxy)azetidine is O=[N+]([O-])c1ccc(F)c(F)c1OC1CNC1.
What is the InChIKey of 3-(2,3-difluoro-6-nitrophenoxy)azetidine?
The InChIKey is DSOVIFDBYLHNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3/c10-6-1-2-7(13(14)15)9(8(6)11)16-5-3-12-4-5/h1-2,5,12H,3-4H2.
What are the key properties of 3-(2,3-difluoro-6-nitrophenoxy)azetidine?
3-(2,3-difluoro-6-nitrophenoxy)azetidine has a molecular weight of 230.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-6-nitrophenoxy)azetidine is sourced from PubChem (CID 63105342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).