3-(4,5-difluoro-2-nitrophenoxy)azetidine

C9H8F2N2O3 — CID 139591719

IUPAC3-(4,5-difluoro-2-nitrophenoxy)azetidine
SMILESO=[N+]([O-])c1cc(F)c(F)cc1OC1CNC1
InChIInChI=1S/C9H8F2N2O3/c10-6-1-8(13(14)15)9(2-7(6)11)16-5-3-12-4-5/h1-2,5,12H,3-4H2
InChIKeyUTWOCLNXCQZQJU-UHFFFAOYSA-N
MW230.17 g/mol
LogP1.22
Rot. Bonds3

About 3-(4,5-difluoro-2-nitrophenoxy)azetidine

3-(4,5-difluoro-2-nitrophenoxy)azetidine (PubChem CID 139591719) has the molecular formula C9H8F2N2O3 and a molecular weight of 230.17 g/mol. Its IUPAC name is 3-(4,5-difluoro-2-nitrophenoxy)azetidine.

Molecular Properties

Compound Name3-(4,5-difluoro-2-nitrophenoxy)azetidine
PubChem CID139591719
Molecular FormulaC9H8F2N2O3
Molecular Weight230.17 g/mol
Exact Mass230.05
IUPAC Name3-(4,5-difluoro-2-nitrophenoxy)azetidine
SMILESO=[N+]([O-])c1cc(F)c(F)cc1OC1CNC1
InChIInChI=1S/C9H8F2N2O3/c10-6-1-8(13(14)15)9(2-7(6)11)16-5-3-12-4-5/h1-2,5,12H,3-4H2
InChIKeyUTWOCLNXCQZQJU-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-(2,5-difluoro-4-nitrophenoxy)azetidine
CID 63597612
3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine
CID 63599233
3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine
CID 66079206
4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
CID 103594346
6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one
CID 63105926
3-(2,3-difluoro-6-nitrophenoxy)azetidine
CID 63105342
1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene
CID 159333833
1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene
CID 118835888
3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine
CID 115556274
5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid
CID 170396033
3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine
CID 66077267
4-(azetidin-3-yloxy)-N-methyl-3-nitrobenzamide
CID 82999612

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-difluoro-2-nitrophenoxy)azetidine?
The IUPAC name of 3-(4,5-difluoro-2-nitrophenoxy)azetidine (CID 139591719) is 3-(4,5-difluoro-2-nitrophenoxy)azetidine.
What is the SMILES notation for 3-(4,5-difluoro-2-nitrophenoxy)azetidine?
The canonical SMILES for 3-(4,5-difluoro-2-nitrophenoxy)azetidine is O=[N+]([O-])c1cc(F)c(F)cc1OC1CNC1.
What is the InChIKey of 3-(4,5-difluoro-2-nitrophenoxy)azetidine?
The InChIKey is UTWOCLNXCQZQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3/c10-6-1-8(13(14)15)9(2-7(6)11)16-5-3-12-4-5/h1-2,5,12H,3-4H2.
What are the key properties of 3-(4,5-difluoro-2-nitrophenoxy)azetidine?
3-(4,5-difluoro-2-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-(4,5-difluoro-2-nitrophenoxy)azetidine is sourced from PubChem (CID 139591719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).