(9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane

C12H22F2OSi — CID 122232933

IUPAC(9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC12CCCCCCC1C2(F)F
InChIInChI=1S/C12H22F2OSi/c1-16(2,3)15-11-9-7-5-4-6-8-10(11)12(11,13)14/h10H,4-9H2,1-3H3
InChIKeyILTMILAJZACOOL-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.20
Rot. Bonds2

About (9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane

(9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane (PubChem CID 122232933) has the molecular formula C12H22F2OSi and a molecular weight of 248.39 g/mol. Its IUPAC name is (9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane.

Molecular Properties

Compound Name(9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane
PubChem CID122232933
Molecular FormulaC12H22F2OSi
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name(9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC12CCCCCCC1C2(F)F
InChIInChI=1S/C12H22F2OSi/c1-16(2,3)15-11-9-7-5-4-6-8-10(11)12(11,13)14/h10H,4-9H2,1-3H3
InChIKeyILTMILAJZACOOL-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.20
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

(8,8-Difluoro-1-bicyclo[5.1.0]octanyl)oxy-trimethylsilane
CID 122232932
1-Bicyclo[6.1.0]nonanyloxy(trimethyl)silane
CID 10976784

Frequently Asked Questions

What is the IUPAC name of (9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane?
The IUPAC name of (9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane (CID 122232933) is (9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane.
What is the SMILES notation for (9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane?
The canonical SMILES for (9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane is C[Si](C)(C)OC12CCCCCCC1C2(F)F.
What is the InChIKey of (9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane?
The InChIKey is ILTMILAJZACOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2OSi/c1-16(2,3)15-11-9-7-5-4-6-8-10(11)12(11,13)14/h10H,4-9H2,1-3H3.
What are the key properties of (9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane?
(9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane has a molecular weight of 248.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-difluoro-1-bicyclo[6.1.0]nonanyl)oxy-trimethylsilane is sourced from PubChem (CID 122232933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).