tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide

C14H22FO2Si- — CID 163667360

IUPACtert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide
SMILESCC(F)(CO)CO[Si-](c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22FO2Si/c1-13(2,3)18(12-8-6-5-7-9-12)17-11-14(4,15)10-16/h5-9,16H,10-11H2,1-4H3/q-1
InChIKeyIZQIZWUMGYRVAZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.42
Rot. Bonds5

About tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide

tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide (PubChem CID 163667360) has the molecular formula C14H22FO2Si- and a molecular weight of 269.41 g/mol. Its IUPAC name is tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide.

Molecular Properties

Compound Nametert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide
PubChem CID163667360
Molecular FormulaC14H22FO2Si-
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Nametert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide
SMILESCC(F)(CO)CO[Si-](c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22FO2Si/c1-13(2,3)18(12-8-6-5-7-9-12)17-11-14(4,15)10-16/h5-9,16H,10-11H2,1-4H3/q-1
InChIKeyIZQIZWUMGYRVAZ-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide?
The IUPAC name of tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide (CID 163667360) is tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide.
What is the SMILES notation for tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide?
The canonical SMILES for tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide is CC(F)(CO)CO[Si-](c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide?
The InChIKey is IZQIZWUMGYRVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FO2Si/c1-13(2,3)18(12-8-6-5-7-9-12)17-11-14(4,15)10-16/h5-9,16H,10-11H2,1-4H3/q-1.
What are the key properties of tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide?
tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide has a molecular weight of 269.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-fluoro-3-hydroxy-2-methylpropoxy)-phenylsilanide is sourced from PubChem (CID 163667360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).