4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol

C10H22FN3O2Si — CID 174057536

IUPAC4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)C(F)CN=[N+]=[N-]
InChIInChI=1S/C10H22FN3O2Si/c1-10(2,3)17(4,5)16-7-9(15)8(11)6-13-14-12/h8-9,15H,6-7H2,1-5H3
InChIKeyLCYIEZUHSYZUAT-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.02
Rot. Bonds6

About 4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol

4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol (PubChem CID 174057536) has the molecular formula C10H22FN3O2Si and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol.

Molecular Properties

Compound Name4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol
PubChem CID174057536
Molecular FormulaC10H22FN3O2Si
Molecular Weight263.39 g/mol
Exact Mass263.15
IUPAC Name4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)C(F)CN=[N+]=[N-]
InChIInChI=1S/C10H22FN3O2Si/c1-10(2,3)17(4,5)16-7-9(15)8(11)6-13-14-12/h8-9,15H,6-7H2,1-5H3
InChIKeyLCYIEZUHSYZUAT-UHFFFAOYSA-N
XLogP3.02
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol?
The IUPAC name of 4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol (CID 174057536) is 4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol.
What is the SMILES notation for 4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol?
The canonical SMILES for 4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol is CC(C)(C)[Si](C)(C)OCC(O)C(F)CN=[N+]=[N-].
What is the InChIKey of 4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol?
The InChIKey is LCYIEZUHSYZUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN3O2Si/c1-10(2,3)17(4,5)16-7-9(15)8(11)6-13-14-12/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol?
4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol has a molecular weight of 263.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol is sourced from PubChem (CID 174057536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).