2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene

C9H7FN4O2 — CID 169462122

IUPAC2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene
SMILES[N-]=[N+]=NCC=Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C9H7FN4O2/c10-9-4-3-8(14(15)16)6-7(9)2-1-5-12-13-11/h1-4,6H,5H2
InChIKeyMXZUPEJCYHNJPD-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene

2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene (PubChem CID 169462122) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene
PubChem CID169462122
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene
SMILES[N-]=[N+]=NCC=Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C9H7FN4O2/c10-9-4-3-8(14(15)16)6-7(9)2-1-5-12-13-11/h1-4,6H,5H2
InChIKeyMXZUPEJCYHNJPD-UHFFFAOYSA-N
XLogP3.06
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.06
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-azidoprop-1-enyl)-4-fluoroaniline
CID 169461451
2-(3-chloroprop-1-enyl)-1-fluoro-4-nitrobenzene
CID 169477708
1-(3-azidoprop-1-enyl)-3,5-difluoro-2-nitrobenzene
CID 169462362
methyl 2-(3-azidoprop-1-enyl)-5-nitrobenzoate
CID 169462624
2-(3-azidoprop-1-enyl)-6-methyl-4-nitroaniline
CID 169462307
3-(3-azidoprop-1-enyl)-5-nitropyridin-2-amine
CID 169462185
2-(4-azidobut-1-enyl)-5-nitrobenzonitrile
CID 170485878
1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene
CID 169462162
N-[4-(2-fluoro-5-nitrophenyl)but-3-enyl]acetamide
CID 170489087
1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene
CID 169461587
4-(3-azidoprop-1-enyl)-2-nitrobenzonitrile
CID 169462311
2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline
CID 169462309

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene?
The IUPAC name of 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene (CID 169462122) is 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene is [N-]=[N+]=NCC=Cc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene?
The InChIKey is MXZUPEJCYHNJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-9-4-3-8(14(15)16)6-7(9)2-1-5-12-13-11/h1-4,6H,5H2.
What are the key properties of 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene?
2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene has a molecular weight of 222.18 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene is sourced from PubChem (CID 169462122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).