tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane

C13H24F2OSi — CID 122389925

IUPACtert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC12CCCCC1C2(F)F
InChIInChI=1S/C13H24F2OSi/c1-11(2,3)17(4,5)16-12-9-7-6-8-10(12)13(12,14)15/h10H,6-9H2,1-5H3
InChIKeyALPCZSOGGNUGSM-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.59
Rot. Bonds2

About tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane

tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane (PubChem CID 122389925) has the molecular formula C13H24F2OSi and a molecular weight of 262.42 g/mol. Its IUPAC name is tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
PubChem CID122389925
Molecular FormulaC13H24F2OSi
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Nametert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC12CCCCC1C2(F)F
InChIInChI=1S/C13H24F2OSi/c1-11(2,3)17(4,5)16-12-9-7-6-8-10(12)13(12,14)15/h10H,6-9H2,1-5H3
InChIKeyALPCZSOGGNUGSM-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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

1-(Trimethylsiloxy)-7,7-difluorobicyclo[4.1.0]heptane
CID 53307531
[(1R,6R)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 101512771
1-Trimethylsiloxybicyclo[4.1.0]heptane
CID 11063094
[(1R,6R)-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129403949
[(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129406247
[(1R,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129406248
[(1S,6R)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129406249
Tert-butyl-[(7,7-difluoro-2-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
CID 162540017
tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane
CID 10846938
trimethyl-[[(1R,7S)-7-methyl-1-bicyclo[4.1.0]heptanyl]oxy]silane
CID 10987234
trimethyl-[[(1R,6R,7S)-7-methyl-1-bicyclo[4.1.0]heptanyl]oxy]silane
CID 21676538
trimethyl-[[(1R,6R,7R)-7-methyl-1-bicyclo[4.1.0]heptanyl]oxy]silane
CID 21676539

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane (CID 122389925) is tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC12CCCCC1C2(F)F.
What is the InChIKey of tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
The InChIKey is ALPCZSOGGNUGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2OSi/c1-11(2,3)17(4,5)16-12-9-7-6-8-10(12)13(12,14)15/h10H,6-9H2,1-5H3.
What are the key properties of tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane?
tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane has a molecular weight of 262.42 g/mol, XLogP of 4.59, 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-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane is sourced from PubChem (CID 122389925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).