1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene

C10H9ClFN3 — CID 169461587

IUPAC1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene
SMILESCc1c(F)ccc(C=CCN=[N+]=[N-])c1Cl
InChIInChI=1S/C10H9ClFN3/c1-7-9(12)5-4-8(10(7)11)3-2-6-14-15-13/h2-5H,6H2,1H3
InChIKeyHAMHSNHFJYKKOB-UHFFFAOYSA-N
MW225.65 g/mol
LogP4.11
Rot. Bonds3

About 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene

1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene (PubChem CID 169461587) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene
PubChem CID169461587
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene
SMILESCc1c(F)ccc(C=CCN=[N+]=[N-])c1Cl
InChIInChI=1S/C10H9ClFN3/c1-7-9(12)5-4-8(10(7)11)3-2-6-14-15-13/h2-5H,6H2,1H3
InChIKeyHAMHSNHFJYKKOB-UHFFFAOYSA-N
XLogP4.11
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene 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-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
2-(3-azidoprop-1-enyl)-1,3-difluoro-4-methylbenzene
CID 169462859
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
2-(3-azidoprop-1-enyl)-3-bromo-1-fluoro-4-methylbenzene
CID 169462858
5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
CID 169461396
4-(3-azidoprop-1-enyl)-2,3-difluorophenol
CID 169461687
2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene
CID 169462122
N-[4-(2-chloro-4-fluoro-3-methylphenyl)but-3-enyl]acetamide
CID 170488494
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
CID 169461414
2-(3-azidoprop-1-enyl)-1-methyl-4-(trifluoromethyl)benzene
CID 169462191
1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene
CID 151588086

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene?
The IUPAC name of 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene (CID 169461587) is 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene.
What is the SMILES notation for 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene?
The canonical SMILES for 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene is Cc1c(F)ccc(C=CCN=[N+]=[N-])c1Cl.
What is the InChIKey of 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene?
The InChIKey is HAMHSNHFJYKKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-7-9(12)5-4-8(10(7)11)3-2-6-14-15-13/h2-5H,6H2,1H3.
What are the key properties of 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene?
1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene has a molecular weight of 225.65 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene is sourced from PubChem (CID 169461587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).