4-(6-azidohexoxy)-3-fluorobenzaldehyde

C13H16FN3O2 — CID 146226130

IUPAC4-(6-azidohexoxy)-3-fluorobenzaldehyde
SMILES[N-]=[N+]=NCCCCCCOc1ccc(C=O)cc1F
InChIInChI=1S/C13H16FN3O2/c14-12-9-11(10-18)5-6-13(12)19-8-4-2-1-3-7-16-17-15/h5-6,9-10H,1-4,7-8H2
InChIKeyNAFRTDLFGKFGJH-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.89
Rot. Bonds9

About 4-(6-azidohexoxy)-3-fluorobenzaldehyde

4-(6-azidohexoxy)-3-fluorobenzaldehyde (PubChem CID 146226130) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-(6-azidohexoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(6-azidohexoxy)-3-fluorobenzaldehyde
PubChem CID146226130
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name4-(6-azidohexoxy)-3-fluorobenzaldehyde
SMILES[N-]=[N+]=NCCCCCCOc1ccc(C=O)cc1F
InChIInChI=1S/C13H16FN3O2/c14-12-9-11(10-18)5-6-13(12)19-8-4-2-1-3-7-16-17-15/h5-6,9-10H,1-4,7-8H2
InChIKeyNAFRTDLFGKFGJH-UHFFFAOYSA-N
XLogP3.89
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
4-(3-azidopropoxy)-3-methoxybenzaldehyde
CID 54769990
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 107689571
6-(2-fluoro-4-formylphenoxy)-2,2-dimethylhexanenitrile
CID 106832439
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde
CID 122546581
potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
CID 107693734
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187

Frequently Asked Questions

What is the IUPAC name of 4-(6-azidohexoxy)-3-fluorobenzaldehyde?
The IUPAC name of 4-(6-azidohexoxy)-3-fluorobenzaldehyde (CID 146226130) is 4-(6-azidohexoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(6-azidohexoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(6-azidohexoxy)-3-fluorobenzaldehyde is [N-]=[N+]=NCCCCCCOc1ccc(C=O)cc1F.
What is the InChIKey of 4-(6-azidohexoxy)-3-fluorobenzaldehyde?
The InChIKey is NAFRTDLFGKFGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-12-9-11(10-18)5-6-13(12)19-8-4-2-1-3-7-16-17-15/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 4-(6-azidohexoxy)-3-fluorobenzaldehyde?
4-(6-azidohexoxy)-3-fluorobenzaldehyde has a molecular weight of 265.29 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azidohexoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 146226130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).