[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane

C12H15F13O3Si — CID 23523579

IUPAC[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F13O3Si/c1-4-26-29(27-5-2,28-6-3)7(10(17,18)19,11(20,21)22)8(13,14)9(15,16)12(23,24)25/h4-6H2,1-3H3
InChIKeyRRZQZZCSBANXOT-UHFFFAOYSA-N
MW482.31 g/mol
LogP5.73
Rot. Bonds9

About [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane

[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane (PubChem CID 23523579) has the molecular formula C12H15F13O3Si and a molecular weight of 482.31 g/mol. Its IUPAC name is [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane.

Molecular Properties

Compound Name[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane
PubChem CID23523579
Molecular FormulaC12H15F13O3Si
Molecular Weight482.31 g/mol
Exact Mass482.06
IUPAC Name[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F13O3Si/c1-4-26-29(27-5-2,28-6-3)7(10(17,18)19,11(20,21)22)8(13,14)9(15,16)12(23,24)25/h4-6H2,1-3H3
InChIKeyRRZQZZCSBANXOT-UHFFFAOYSA-N
XLogP5.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.31
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane?
The IUPAC name of [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane (CID 23523579) is [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane.
What is the SMILES notation for [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane?
The canonical SMILES for [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane is CCO[Si](OCC)(OCC)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane?
The InChIKey is RRZQZZCSBANXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F13O3Si/c1-4-26-29(27-5-2,28-6-3)7(10(17,18)19,11(20,21)22)8(13,14)9(15,16)12(23,24)25/h4-6H2,1-3H3.
What are the key properties of [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane?
[1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane has a molecular weight of 482.31 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentan-2-yl]-triethoxysilane is sourced from PubChem (CID 23523579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).