[5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane

C12H16ClF8NO2Si — CID 10432336

IUPAC[5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
SMILESCCC1=NOC(O[Si](C)(C)C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C1
InChIInChI=1S/C12H16ClF8NO2Si/c1-5-7-6-8(23-22-7,24-25(2,3)4)9(14,15)10(16,17)11(18,19)12(13,20)21/h5-6H2,1-4H3
InChIKeyCLHIUVZSJOROIJ-UHFFFAOYSA-N
MW421.79 g/mol
LogP5.46
Rot. Bonds7

About [5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane

[5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane (PubChem CID 10432336) has the molecular formula C12H16ClF8NO2Si and a molecular weight of 421.79 g/mol. Its IUPAC name is [5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
PubChem CID10432336
Molecular FormulaC12H16ClF8NO2Si
Molecular Weight421.79 g/mol
Exact Mass421.05
IUPAC Name[5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
SMILESCCC1=NOC(O[Si](C)(C)C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C1
InChIInChI=1S/C12H16ClF8NO2Si/c1-5-7-6-8(23-22-7,24-25(2,3)4)9(14,15)10(16,17)11(18,19)12(13,20)21/h5-6H2,1-4H3
InChIKeyCLHIUVZSJOROIJ-UHFFFAOYSA-N
XLogP5.46
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.79
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
CID 10098228
[5-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)-3-methyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
CID 10346141
[5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-methyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
CID 10431546

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane?
The IUPAC name of [5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane (CID 10432336) is [5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane.
What is the SMILES notation for [5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane?
The canonical SMILES for [5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane is CCC1=NOC(O[Si](C)(C)C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C1.
What is the InChIKey of [5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane?
The InChIKey is CLHIUVZSJOROIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF8NO2Si/c1-5-7-6-8(23-22-7,24-25(2,3)4)9(14,15)10(16,17)11(18,19)12(13,20)21/h5-6H2,1-4H3.
What are the key properties of [5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane?
[5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane has a molecular weight of 421.79 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane is sourced from PubChem (CID 10432336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).