1-azidoethylbenzene;rutherfordium

C8H8N3Rf- — CID 164682977

IUPAC1-azidoethylbenzene;rutherfordium
SMILES[CH2-]C(N=[N+]=[N-])c1ccccc1.[Rf]
InChIInChI=1S/C8H8N3.Rf/c1-7(10-11-9)8-5-3-2-4-6-8;/h2-7H,1H2;/q-1;
InChIKeyPBIOZVSUQAWECD-UHFFFAOYSA-N
MW413.17 g/mol
LogP2.87
Rot. Bonds2

About 1-azidoethylbenzene;rutherfordium

1-azidoethylbenzene;rutherfordium (PubChem CID 164682977) has the molecular formula C8H8N3Rf- and a molecular weight of 413.17 g/mol. Its IUPAC name is 1-azidoethylbenzene;rutherfordium.

Molecular Properties

Compound Name1-azidoethylbenzene;rutherfordium
PubChem CID164682977
Molecular FormulaC8H8N3Rf-
Molecular Weight413.17 g/mol
Exact Mass413.19
IUPAC Name1-azidoethylbenzene;rutherfordium
SMILES[CH2-]C(N=[N+]=[N-])c1ccccc1.[Rf]
InChIInChI=1S/C8H8N3.Rf/c1-7(10-11-9)8-5-3-2-4-6-8;/h2-7H,1H2;/q-1;
InChIKeyPBIOZVSUQAWECD-UHFFFAOYSA-N
XLogP2.87
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.17
LogP ≤ 52.87
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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[azido(fluoro)methyl]benzene
CID 123240072
azido(phenyl)methanol
CID 59611949
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
[azido(phenyl)methyl]benzene;molecular hydrogen
CID 167689776
(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 1-azidoethylbenzene;rutherfordium?
The IUPAC name of 1-azidoethylbenzene;rutherfordium (CID 164682977) is 1-azidoethylbenzene;rutherfordium.
What is the SMILES notation for 1-azidoethylbenzene;rutherfordium?
The canonical SMILES for 1-azidoethylbenzene;rutherfordium is [CH2-]C(N=[N+]=[N-])c1ccccc1.[Rf].
What is the InChIKey of 1-azidoethylbenzene;rutherfordium?
The InChIKey is PBIOZVSUQAWECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3.Rf/c1-7(10-11-9)8-5-3-2-4-6-8;/h2-7H,1H2;/q-1;.
What are the key properties of 1-azidoethylbenzene;rutherfordium?
1-azidoethylbenzene;rutherfordium has a molecular weight of 413.17 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidoethylbenzene;rutherfordium is sourced from PubChem (CID 164682977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).