[azido(fluoro)methyl]benzene

C7H6FN3 — CID 123240072

IUPAC[azido(fluoro)methyl]benzene
SMILES[N-]=[N+]=NC(F)c1ccccc1
InChIInChI=1S/C7H6FN3/c8-7(10-11-9)6-4-2-1-3-5-6/h1-5,7H
InChIKeyUNCSKPUNTDWBLS-UHFFFAOYSA-N
MW151.14 g/mol
LogP2.96
Rot. Bonds2

About [azido(fluoro)methyl]benzene

[azido(fluoro)methyl]benzene (PubChem CID 123240072) has the molecular formula C7H6FN3 and a molecular weight of 151.14 g/mol. Its IUPAC name is [azido(fluoro)methyl]benzene.

Molecular Properties

Compound Name[azido(fluoro)methyl]benzene
PubChem CID123240072
Molecular FormulaC7H6FN3
Molecular Weight151.14 g/mol
Exact Mass151.05
IUPAC Name[azido(fluoro)methyl]benzene
SMILES[N-]=[N+]=NC(F)c1ccccc1
InChIInChI=1S/C7H6FN3/c8-7(10-11-9)6-4-2-1-3-5-6/h1-5,7H
InChIKeyUNCSKPUNTDWBLS-UHFFFAOYSA-N
XLogP2.96
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 52.96
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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

azido(phenyl)methanol
CID 59611949
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
[azido(phenyl)methyl]benzene;molecular hydrogen
CID 167689776
1-azidoethylbenzene;rutherfordium
CID 164682977
(1,4-diazido-4-phenylbut-2-enyl)benzene
CID 139947200
[(2S,3S)-3-azidobutan-2-yl]benzene
CID 131049282
(1-azido-2-chloroethyl)benzene
CID 13032303
[(1R,2R)-1,2-diazidopropyl]benzene
CID 153288330
(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
azido(phenyl)methanethiolate;neodymium;tritiophosphane
CID 59611950
4-[azido(phenyl)methyl]phenol
CID 134907898
(2R)-1-azido-1-phenylpropan-2-amine
CID 118411737

Frequently Asked Questions

What is the IUPAC name of [azido(fluoro)methyl]benzene?
The IUPAC name of [azido(fluoro)methyl]benzene (CID 123240072) is [azido(fluoro)methyl]benzene.
What is the SMILES notation for [azido(fluoro)methyl]benzene?
The canonical SMILES for [azido(fluoro)methyl]benzene is [N-]=[N+]=NC(F)c1ccccc1.
What is the InChIKey of [azido(fluoro)methyl]benzene?
The InChIKey is UNCSKPUNTDWBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3/c8-7(10-11-9)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of [azido(fluoro)methyl]benzene?
[azido(fluoro)methyl]benzene has a molecular weight of 151.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [azido(fluoro)methyl]benzene is sourced from PubChem (CID 123240072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).