5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole

C10H7F2N3O2 — CID 169462408

IUPAC5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole
SMILES[N-]=[N+]=NCC=Cc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C10H7F2N3O2/c11-10(12)16-8-4-3-7(6-9(8)17-10)2-1-5-14-15-13/h1-4,6H,5H2
InChIKeyFOYKWMWFQRJZBU-UHFFFAOYSA-N
MW239.18 g/mol
LogP3.33
Rot. Bonds3

About 5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole

5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole (PubChem CID 169462408) has the molecular formula C10H7F2N3O2 and a molecular weight of 239.18 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole
PubChem CID169462408
Molecular FormulaC10H7F2N3O2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Name5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole
SMILES[N-]=[N+]=NCC=Cc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C10H7F2N3O2/c11-10(12)16-8-4-3-7(6-9(8)17-10)2-1-5-14-15-13/h1-4,6H,5H2
InChIKeyFOYKWMWFQRJZBU-UHFFFAOYSA-N
XLogP3.33
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(3-azidoprop-1-enyl)isoindole-1,3-dione
CID 169462453
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
(E)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethenamine
CID 131238479
5-(3-azidoprop-1-enyl)-1-benzofuran
CID 169461862
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
6-(3-azidoprop-1-enyl)-2-chloro-1,3-benzothiazole
CID 169461926
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile
CID 169461754
5-(3-azidoprop-1-enyl)-2-fluoropyridine
CID 169461269
2-[5-(3-azidoprop-1-enyl)-2-fluorophenyl]acetonitrile
CID 169462095
4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
CID 169461583
5-(3-azidoprop-1-enyl)-2-(trifluoromethoxy)aniline
CID 169462590

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole?
The IUPAC name of 5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole (CID 169462408) is 5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole is [N-]=[N+]=NCC=Cc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole?
The InChIKey is FOYKWMWFQRJZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2/c11-10(12)16-8-4-3-7(6-9(8)17-10)2-1-5-14-15-13/h1-4,6H,5H2.
What are the key properties of 5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole?
5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole has a molecular weight of 239.18 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole is sourced from PubChem (CID 169462408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).