2-[ditert-butyl(fluoro)silyl]ethanol

C10H23FOSi — CID 72704488

IUPAC2-[ditert-butyl(fluoro)silyl]ethanol
SMILESCC(C)(C)[Si]([18F])(CCO)C(C)(C)C
InChIInChI=1S/C10H23FOSi/c1-9(2,3)13(11,8-7-12)10(4,5)6/h12H,7-8H2,1-6H3/i11-1
InChIKeyRANGAKROGPJPQZ-KXMUYVCJSA-N
MW205.38 g/mol
LogP3.49
Rot. Bonds2

About 2-[ditert-butyl(fluoro)silyl]ethanol

2-[ditert-butyl(fluoro)silyl]ethanol (PubChem CID 72704488) has the molecular formula C10H23FOSi and a molecular weight of 205.38 g/mol. Its IUPAC name is 2-[ditert-butyl(fluoro)silyl]ethanol.

Molecular Properties

Compound Name2-[ditert-butyl(fluoro)silyl]ethanol
PubChem CID72704488
Molecular FormulaC10H23FOSi
Molecular Weight205.38 g/mol
Exact Mass205.15
IUPAC Name2-[ditert-butyl(fluoro)silyl]ethanol
SMILESCC(C)(C)[Si]([18F])(CCO)C(C)(C)C
InChIInChI=1S/C10H23FOSi/c1-9(2,3)13(11,8-7-12)10(4,5)6/h12H,7-8H2,1-6H3/i11-1
InChIKeyRANGAKROGPJPQZ-KXMUYVCJSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ditert-butyl(fluoro)silyl]ethanol?
The IUPAC name of 2-[ditert-butyl(fluoro)silyl]ethanol (CID 72704488) is 2-[ditert-butyl(fluoro)silyl]ethanol.
What is the SMILES notation for 2-[ditert-butyl(fluoro)silyl]ethanol?
The canonical SMILES for 2-[ditert-butyl(fluoro)silyl]ethanol is CC(C)(C)[Si]([18F])(CCO)C(C)(C)C.
What is the InChIKey of 2-[ditert-butyl(fluoro)silyl]ethanol?
The InChIKey is RANGAKROGPJPQZ-KXMUYVCJSA-N. The full InChI is InChI=1S/C10H23FOSi/c1-9(2,3)13(11,8-7-12)10(4,5)6/h12H,7-8H2,1-6H3/i11-1.
What are the key properties of 2-[ditert-butyl(fluoro)silyl]ethanol?
2-[ditert-butyl(fluoro)silyl]ethanol has a molecular weight of 205.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ditert-butyl(fluoro)silyl]ethanol is sourced from PubChem (CID 72704488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).