tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane

C12H22F2OSi — CID 166560955

IUPACtert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane
SMILESC=C[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C1(F)F
InChIInChI=1S/C12H22F2OSi/c1-7-9-10(12(9,13)14)8-15-16(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/t9-,10-/m0/s1
InChIKeyNZAJYHVTISQWDK-UWVGGRQHSA-N
MW248.39 g/mol
LogP4.08
Rot. Bonds4

About tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane

tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane (PubChem CID 166560955) has the molecular formula C12H22F2OSi and a molecular weight of 248.39 g/mol. Its IUPAC name is tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane
PubChem CID166560955
Molecular FormulaC12H22F2OSi
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Nametert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane
SMILESC=C[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C1(F)F
InChIInChI=1S/C12H22F2OSi/c1-7-9-10(12(9,13)14)8-15-16(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/t9-,10-/m0/s1
InChIKeyNZAJYHVTISQWDK-UWVGGRQHSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane (CID 166560955) is tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane is C=C[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C1(F)F.
What is the InChIKey of tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane?
The InChIKey is NZAJYHVTISQWDK-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22F2OSi/c1-7-9-10(12(9,13)14)8-15-16(5,6)11(2,3)4/h7,9-10H,1,8H2,2-6H3/t9-,10-/m0/s1.
What are the key properties of tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane?
tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane has a molecular weight of 248.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3S)-3-ethenyl-2,2-difluorocyclopropyl]methoxy]-dimethylsilane is sourced from PubChem (CID 166560955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).