tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane

C13H24F2OSi — CID 162540017

IUPACtert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC2C1C2(F)F
InChIInChI=1S/C13H24F2OSi/c1-12(2,3)17(4,5)16-10-8-6-7-9-11(10)13(9,14)15/h9-11H,6-8H2,1-5H3
InChIKeyTYTHNZKYEYIYSX-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.44
Rot. Bonds2

About tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane

tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane (PubChem CID 162540017) has the molecular formula C13H24F2OSi and a molecular weight of 262.42 g/mol. Its IUPAC name is tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
PubChem CID162540017
Molecular FormulaC13H24F2OSi
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Nametert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC2C1C2(F)F
InChIInChI=1S/C13H24F2OSi/c1-12(2,3)17(4,5)16-10-8-6-7-9-11(10)13(9,14)15/h9-11H,6-8H2,1-5H3
InChIKeyTYTHNZKYEYIYSX-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 53307531
CID 53307531
CID 101512771
CID 101512771
CID 122389925
CID 122389925
CID 129406247
CID 129406247
CID 129406248
CID 129406248
CID 129406249
CID 129406249

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane (CID 162540017) is tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCCC2C1C2(F)F.
What is the InChIKey of tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
The InChIKey is TYTHNZKYEYIYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2OSi/c1-12(2,3)17(4,5)16-10-8-6-7-9-11(10)13(9,14)15/h9-11H,6-8H2,1-5H3.
What are the key properties of tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane has a molecular weight of 262.42 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane is sourced from PubChem (CID 162540017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).