[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

C14H16ClF12NO2Si — CID 10098228

IUPAC[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
SMILESCCC1=NOC(O[Si](C)(C)C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C1
InChIInChI=1S/C14H16ClF12NO2Si/c1-5-7-6-8(29-28-7,30-31(2,3)4)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(15,26)27/h5-6H2,1-4H3
InChIKeyKSVPKCBQIGLRKO-UHFFFAOYSA-N
MW521.80 g/mol
LogP6.73
Rot. Bonds9

About [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

[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 (PubChem CID 10098228) has the molecular formula C14H16ClF12NO2Si and a molecular weight of 521.80 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID10098228
Molecular FormulaC14H16ClF12NO2Si
Molecular Weight521.80 g/mol
Exact Mass521.04
IUPAC Name[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
SMILESCCC1=NOC(O[Si](C)(C)C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C1
InChIInChI=1S/C14H16ClF12NO2Si/c1-5-7-6-8(29-28-7,30-31(2,3)4)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(15,26)27/h5-6H2,1-4H3
InChIKeyKSVPKCBQIGLRKO-UHFFFAOYSA-N
XLogP6.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.80
LogP ≤ 56.73
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-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
[5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-3-ethyl-4H-1,2-oxazol-5-yl]oxy-trimethylsilane
CID 10432336

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCC1=NOC(O[Si](C)(C)C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C1.
What is the InChIKey of [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?
The InChIKey is KSVPKCBQIGLRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF12NO2Si/c1-5-7-6-8(29-28-7,30-31(2,3)4)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(15,26)27/h5-6H2,1-4H3.
What are the key properties of [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?
[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 has a molecular weight of 521.80 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 10098228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).