4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde

C11H10FN3O — CID 170485168

IUPAC4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde
SMILES[N-]=[N+]=NCCC=Cc1ccc(C=O)c(F)c1
InChIInChI=1S/C11H10FN3O/c12-11-7-9(4-5-10(11)8-16)3-1-2-6-14-15-13/h1,3-5,7-8H,2,6H2
InChIKeyZPFWUJJLUFABOG-UHFFFAOYSA-N
MW219.22 g/mol
LogP3.35
Rot. Bonds5

About 4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde

4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde (PubChem CID 170485168) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde
PubChem CID170485168
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde
SMILES[N-]=[N+]=NCCC=Cc1ccc(C=O)c(F)c1
InChIInChI=1S/C11H10FN3O/c12-11-7-9(4-5-10(11)8-16)3-1-2-6-14-15-13/h1,3-5,7-8H,2,6H2
InChIKeyZPFWUJJLUFABOG-UHFFFAOYSA-N
XLogP3.35
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-azidobut-1-enyl)-2-hydroxybenzaldehyde
CID 170485123
4-(4-azidobut-1-enyl)-2-fluoroaniline
CID 170484952
5-(4-azidobut-1-enyl)-2-nitrobenzaldehyde
CID 170485944
1-[5-(4-azidobut-1-enyl)-2-fluorophenyl]ethanone
CID 170485561
2-(4-azidobut-1-enyl)-5-methylbenzaldehyde
CID 170485179
S-[3-(3-fluoro-4-formylphenyl)prop-2-enyl] ethanethioate
CID 169457100
4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide
CID 170485921
methyl 5-(4-azidobut-1-enyl)-2-fluorobenzoate
CID 170485787
5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde
CID 169461964
4-(4-azidobut-1-enyl)-3-nitrobenzaldehyde
CID 170485947
5-(4-azidobut-1-enyl)-2-chloro-3-fluoropyridine
CID 170485000
1-[4-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485177

Frequently Asked Questions

What is the IUPAC name of 4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde?
The IUPAC name of 4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde (CID 170485168) is 4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde?
The canonical SMILES for 4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde is [N-]=[N+]=NCCC=Cc1ccc(C=O)c(F)c1.
What is the InChIKey of 4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde?
The InChIKey is ZPFWUJJLUFABOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-11-7-9(4-5-10(11)8-16)3-1-2-6-14-15-13/h1,3-5,7-8H,2,6H2.
What are the key properties of 4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde?
4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde has a molecular weight of 219.22 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 170485168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).