[4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane

C15H24FN3Si — CID 135018093

IUPAC[4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane
SMILESCC(C)(C)[Si](F)(c1ccc(CN=[N+]=[N-])cc1)C(C)(C)C
InChIInChI=1S/C15H24FN3Si/c1-14(2,3)20(16,15(4,5)6)13-9-7-12(8-10-13)11-18-19-17/h7-10H,11H2,1-6H3
InChIKeyOFDQQAMTCZLWJR-UHFFFAOYSA-N
MW293.46 g/mol
LogP5.22
Rot. Bonds3

About [4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane

[4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane (PubChem CID 135018093) has the molecular formula C15H24FN3Si and a molecular weight of 293.46 g/mol. Its IUPAC name is [4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane.

Molecular Properties

Compound Name[4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane
PubChem CID135018093
Molecular FormulaC15H24FN3Si
Molecular Weight293.46 g/mol
Exact Mass293.17
IUPAC Name[4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane
SMILESCC(C)(C)[Si](F)(c1ccc(CN=[N+]=[N-])cc1)C(C)(C)C
InChIInChI=1S/C15H24FN3Si/c1-14(2,3)20(16,15(4,5)6)13-9-7-12(8-10-13)11-18-19-17/h7-10H,11H2,1-6H3
InChIKeyOFDQQAMTCZLWJR-UHFFFAOYSA-N
XLogP5.22
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.46
LogP ≤ 55.22
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Benzyl azide
CID 12152
Benzene, (2-azidoethyl)-
CID 145976
Silanamine, N-(phenylmethyl)-N,1,1,1-tetramethyl-
CID 26949
N-Benzyltrimethylsilylamine
CID 519016
1-(Azidomethyl)-4-fluorobenzene
CID 11205864
2-(Azidomethyl)-1,3-difluorobenzene
CID 10888323
1-(Azidomethyl)-2-fluorobenzene
CID 21282651
1-(Azidomethyl)-3-fluorobenzene
CID 43307112
N-Benzyl-1-(trimethylsilyl)-N-((trimethylsilyl)methyl)methanamine
CID 11832796
1-(Azidomethyl)-3-methylbenzene
CID 2736816
(4-Propylphenyl)methanediazonium
CID 146683558
3-Trimethylsilylbenzylguanidine
CID 134015

Frequently Asked Questions

What is the IUPAC name of [4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane?
The IUPAC name of [4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane (CID 135018093) is [4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane.
What is the SMILES notation for [4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane?
The canonical SMILES for [4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane is CC(C)(C)[Si](F)(c1ccc(CN=[N+]=[N-])cc1)C(C)(C)C.
What is the InChIKey of [4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane?
The InChIKey is OFDQQAMTCZLWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3Si/c1-14(2,3)20(16,15(4,5)6)13-9-7-12(8-10-13)11-18-19-17/h7-10H,11H2,1-6H3.
What are the key properties of [4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane?
[4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane has a molecular weight of 293.46 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azidomethyl)phenyl]-ditert-butyl-fluorosilane is sourced from PubChem (CID 135018093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).