3-(3-azidoprop-1-enyl)-4-fluoroaniline

C9H9FN4 — CID 169461451

IUPAC3-(3-azidoprop-1-enyl)-4-fluoroaniline
SMILES[N-]=[N+]=NCC=Cc1cc(N)ccc1F
InChIInChI=1S/C9H9FN4/c10-9-4-3-8(11)6-7(9)2-1-5-13-14-12/h1-4,6H,5,11H2
InChIKeyUXXVJWRJRGYDMC-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.73
Rot. Bonds3

About 3-(3-azidoprop-1-enyl)-4-fluoroaniline

3-(3-azidoprop-1-enyl)-4-fluoroaniline (PubChem CID 169461451) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 3-(3-azidoprop-1-enyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(3-azidoprop-1-enyl)-4-fluoroaniline
PubChem CID169461451
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name3-(3-azidoprop-1-enyl)-4-fluoroaniline
SMILES[N-]=[N+]=NCC=Cc1cc(N)ccc1F
InChIInChI=1S/C9H9FN4/c10-9-4-3-8(11)6-7(9)2-1-5-13-14-12/h1-4,6H,5,11H2
InChIKeyUXXVJWRJRGYDMC-UHFFFAOYSA-N
XLogP2.73
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

4-amino-2-(3-azidoprop-1-enyl)phenol
CID 169461517
2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene
CID 169462122
4-(3-azidoprop-1-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 169462574
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene
CID 169461587
3-(4-chlorobut-1-enyl)-4-fluoroaniline
CID 170498824
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
5-(3-azidoprop-1-enyl)-6-methylpyridin-3-amine
CID 169461413
methyl 5-amino-2-(3-azidoprop-1-enyl)benzoate
CID 169462355
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575
4-(3-azidoprop-1-enyl)-2,3-difluorophenol
CID 169461687

Frequently Asked Questions

What is the IUPAC name of 3-(3-azidoprop-1-enyl)-4-fluoroaniline?
The IUPAC name of 3-(3-azidoprop-1-enyl)-4-fluoroaniline (CID 169461451) is 3-(3-azidoprop-1-enyl)-4-fluoroaniline.
What is the SMILES notation for 3-(3-azidoprop-1-enyl)-4-fluoroaniline?
The canonical SMILES for 3-(3-azidoprop-1-enyl)-4-fluoroaniline is [N-]=[N+]=NCC=Cc1cc(N)ccc1F.
What is the InChIKey of 3-(3-azidoprop-1-enyl)-4-fluoroaniline?
The InChIKey is UXXVJWRJRGYDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c10-9-4-3-8(11)6-7(9)2-1-5-13-14-12/h1-4,6H,5,11H2.
What are the key properties of 3-(3-azidoprop-1-enyl)-4-fluoroaniline?
3-(3-azidoprop-1-enyl)-4-fluoroaniline has a molecular weight of 192.20 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidoprop-1-enyl)-4-fluoroaniline is sourced from PubChem (CID 169461451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).