ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane

C15H31FO2Si — CID 72704090

IUPACditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane
SMILESCC(C)(C)[Si](F)(CCOC1CCCCO1)C(C)(C)C
InChIInChI=1S/C15H31FO2Si/c1-14(2,3)19(16,15(4,5)6)12-11-18-13-9-7-8-10-17-13/h13H,7-12H2,1-6H3
InChIKeyZHQGPJMECAKXCA-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.04
Rot. Bonds4

About ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane

ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane (PubChem CID 72704090) has the molecular formula C15H31FO2Si and a molecular weight of 290.50 g/mol. Its IUPAC name is ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane.

Molecular Properties

Compound Nameditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane
PubChem CID72704090
Molecular FormulaC15H31FO2Si
Molecular Weight290.50 g/mol
Exact Mass290.21
IUPAC Nameditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane
SMILESCC(C)(C)[Si](F)(CCOC1CCCCO1)C(C)(C)C
InChIInChI=1S/C15H31FO2Si/c1-14(2,3)19(16,15(4,5)6)12-11-18-13-9-7-8-10-17-13/h13H,7-12H2,1-6H3
InChIKeyZHQGPJMECAKXCA-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane?
The IUPAC name of ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane (CID 72704090) is ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane.
What is the SMILES notation for ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane?
The canonical SMILES for ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane is CC(C)(C)[Si](F)(CCOC1CCCCO1)C(C)(C)C.
What is the InChIKey of ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane?
The InChIKey is ZHQGPJMECAKXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FO2Si/c1-14(2,3)19(16,15(4,5)6)12-11-18-13-9-7-8-10-17-13/h13H,7-12H2,1-6H3.
What are the key properties of ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane?
ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane has a molecular weight of 290.50 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-fluoro-[2-(oxan-2-yloxy)ethyl]silane is sourced from PubChem (CID 72704090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).