[(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane

C10H18F2OSi — CID 129406247

IUPAC[(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@@]12CCCC[C@@H]1C2(F)F
InChIInChI=1S/C10H18F2OSi/c1-14(2,3)13-9-7-5-4-6-8(9)10(9,11)12/h8H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyFHMLYELMNGPMDP-IUCAKERBSA-N
MW220.33 g/mol
LogP3.42
Rot. Bonds2

About [(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane

[(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane (PubChem CID 129406247) has the molecular formula C10H18F2OSi and a molecular weight of 220.33 g/mol. Its IUPAC name is [(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
PubChem CID129406247
Molecular FormulaC10H18F2OSi
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name[(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@@]12CCCC[C@@H]1C2(F)F
InChIInChI=1S/C10H18F2OSi/c1-14(2,3)13-9-7-5-4-6-8(9)10(9,11)12/h8H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyFHMLYELMNGPMDP-IUCAKERBSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 53.42
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
(8,8-Difluoro-1-bicyclo[5.1.0]octanyl)oxy-trimethylsilane
CID 122232932
1-Trimethylsiloxybicyclo[4.1.0]heptane
CID 11063094
[(1R,6R)-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129403949
trimethyl-[[(1R,6S,7S)-7-propan-2-yl-1-bicyclo[4.1.0]heptanyl]oxy]silane
CID 135015623
Tert-butyl-[(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy]-dimethylsilane
CID 122389925
[(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

Frequently Asked Questions

What is the IUPAC name of [(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
The IUPAC name of [(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane (CID 129406247) is [(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane is C[Si](C)(C)O[C@@]12CCCC[C@@H]1C2(F)F.
What is the InChIKey of [(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
The InChIKey is FHMLYELMNGPMDP-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18F2OSi/c1-14(2,3)13-9-7-5-4-6-8(9)10(9,11)12/h8H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of [(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane?
[(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane has a molecular weight of 220.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S)-7,7-difluoro-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane is sourced from PubChem (CID 129406247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).