tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane

C12H25FOSi — CID 160894551

IUPACtert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1F
InChIInChI=1S/C12H25FOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeySORVIHDGWAAULE-WDEREUQCSA-N
MW232.41 g/mol
LogP4.29
Rot. Bonds2

About tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane (PubChem CID 160894551) has the molecular formula C12H25FOSi and a molecular weight of 232.41 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane
PubChem CID160894551
Molecular FormulaC12H25FOSi
Molecular Weight232.41 g/mol
Exact Mass232.17
IUPAC Nametert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1F
InChIInChI=1S/C12H25FOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeySORVIHDGWAAULE-WDEREUQCSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.29
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

(Cyclohexyloxy)trimethylsilane
CID 262864
Cyclohexanol, DMTBS
CID 529216
Silane, (1,1-dimethylethyl)dimethyl[(1-methylhexyl)oxy]-
CID 6430228
Cis-tert-butyl((4-fluorocyclohexyl)oxy)dimethylsilane
CID 134970123
tert-butyl-dimethyl-[(2R,6S)-2,4,6-trifluorocyclohexyl]oxysilane
CID 161233321
Dimethylsilyloxycyclohexane
CID 6329285
Silane, (cyclohexyloxy)triethyl-
CID 11390260
2-(tert-Butyldimethylsilyloxy)hexane
CID 6430230
Cyclohexyloxy-tri(propan-2-yl)silane
CID 12619130
Tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane
CID 19904713
Tert-butyl-(5-fluorohexoxy)-dimethylsilane
CID 88720334
Tert-butyl-(2-fluorocyclohexyl)oxy-dimethylsilane
CID 123407639

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane (CID 160894551) is tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1F.
What is the InChIKey of tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane?
The InChIKey is SORVIHDGWAAULE-WDEREUQCSA-N. The full InChI is InChI=1S/C12H25FOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h10-11H,6-9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane has a molecular weight of 232.41 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 160894551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).