tributyl-(3,5-difluorophenoxy)silane

C18H30F2OSi — CID 530918

IUPACtributyl-(3,5-difluorophenoxy)silane
SMILESCCCC[Si](CCCC)(CCCC)Oc1cc(F)cc(F)c1
InChIInChI=1S/C18H30F2OSi/c1-4-7-10-22(11-8-5-2,12-9-6-3)21-18-14-16(19)13-17(20)15-18/h13-15H,4-12H2,1-3H3
InChIKeyWRSJRQHALWDYOG-UHFFFAOYSA-N
MW328.52 g/mol
LogP6.69
Rot. Bonds11

About tributyl-(3,5-difluorophenoxy)silane

tributyl-(3,5-difluorophenoxy)silane (PubChem CID 530918) has the molecular formula C18H30F2OSi and a molecular weight of 328.52 g/mol. Its IUPAC name is tributyl-(3,5-difluorophenoxy)silane.

Molecular Properties

Compound Nametributyl-(3,5-difluorophenoxy)silane
PubChem CID530918
Molecular FormulaC18H30F2OSi
Molecular Weight328.52 g/mol
Exact Mass328.20
IUPAC Nametributyl-(3,5-difluorophenoxy)silane
SMILESCCCC[Si](CCCC)(CCCC)Oc1cc(F)cc(F)c1
InChIInChI=1S/C18H30F2OSi/c1-4-7-10-22(11-8-5-2,12-9-6-3)21-18-14-16(19)13-17(20)15-18/h13-15H,4-12H2,1-3H3
InChIKeyWRSJRQHALWDYOG-UHFFFAOYSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tributyl-(3,5-difluorophenoxy)silane?
The IUPAC name of tributyl-(3,5-difluorophenoxy)silane (CID 530918) is tributyl-(3,5-difluorophenoxy)silane.
What is the SMILES notation for tributyl-(3,5-difluorophenoxy)silane?
The canonical SMILES for tributyl-(3,5-difluorophenoxy)silane is CCCC[Si](CCCC)(CCCC)Oc1cc(F)cc(F)c1.
What is the InChIKey of tributyl-(3,5-difluorophenoxy)silane?
The InChIKey is WRSJRQHALWDYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2OSi/c1-4-7-10-22(11-8-5-2,12-9-6-3)21-18-14-16(19)13-17(20)15-18/h13-15H,4-12H2,1-3H3.
What are the key properties of tributyl-(3,5-difluorophenoxy)silane?
tributyl-(3,5-difluorophenoxy)silane has a molecular weight of 328.52 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3,5-difluorophenoxy)silane is sourced from PubChem (CID 530918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).