4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile

C10H7FN4 — CID 169461754

IUPAC4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(C=CCN=[N+]=[N-])cc1F
InChIInChI=1S/C10H7FN4/c11-10-6-8(2-1-5-14-15-13)3-4-9(10)7-12/h1-4,6H,5H2
InChIKeyLQIPMXYYCHLAFH-UHFFFAOYSA-N
MW202.19 g/mol
LogP3.02
Rot. Bonds3

About 4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile

4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile (PubChem CID 169461754) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile
PubChem CID169461754
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(C=CCN=[N+]=[N-])cc1F
InChIInChI=1S/C10H7FN4/c11-10-6-8(2-1-5-14-15-13)3-4-9(10)7-12/h1-4,6H,5H2
InChIKeyLQIPMXYYCHLAFH-UHFFFAOYSA-N
XLogP3.02
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[5-(3-azidoprop-1-enyl)-2-fluorophenyl]acetonitrile
CID 169462095
4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile
CID 169462173
4-(3-azidoprop-1-enyl)-2-nitrobenzonitrile
CID 169462311
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
3-[4-(3-azidoprop-1-enyl)-2-fluorophenyl]propanoic acid
CID 169462522
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
5-(3-azidoprop-1-enyl)-2-fluoropyridine
CID 169461269
4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
CID 169461583
2-amino-5-(4-azidobut-1-enyl)benzonitrile
CID 170485219
5-(3-azidoprop-1-enyl)-1H-indole
CID 169461878
5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole
CID 169462408

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile?
The IUPAC name of 4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile (CID 169461754) is 4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile is N#Cc1ccc(C=CCN=[N+]=[N-])cc1F.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile?
The InChIKey is LQIPMXYYCHLAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4/c11-10-6-8(2-1-5-14-15-13)3-4-9(10)7-12/h1-4,6H,5H2.
What are the key properties of 4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile?
4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile has a molecular weight of 202.19 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile is sourced from PubChem (CID 169461754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).