methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane

C10H9F15O3Si — CID 71350227

IUPACmethyl-tris(2,2,3,3,3-pentafluoropropoxy)silane
SMILESC[Si](OCC(F)(F)C(F)(F)F)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F15O3Si/c1-29(26-2-5(11,12)8(17,18)19,27-3-6(13,14)9(20,21)22)28-4-7(15,16)10(23,24)25/h2-4H2,1H3
InChIKeyVBTXHVSHBNHQHL-UHFFFAOYSA-N
MW490.24 g/mol
LogP5.20
Rot. Bonds9

About methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane

methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane (PubChem CID 71350227) has the molecular formula C10H9F15O3Si and a molecular weight of 490.24 g/mol. Its IUPAC name is methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane.

Molecular Properties

Compound Namemethyl-tris(2,2,3,3,3-pentafluoropropoxy)silane
PubChem CID71350227
Molecular FormulaC10H9F15O3Si
Molecular Weight490.24 g/mol
Exact Mass490.01
IUPAC Namemethyl-tris(2,2,3,3,3-pentafluoropropoxy)silane
SMILESC[Si](OCC(F)(F)C(F)(F)F)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F15O3Si/c1-29(26-2-5(11,12)8(17,18)19,27-3-6(13,14)9(20,21)22)28-4-7(15,16)10(23,24)25/h2-4H2,1H3
InChIKeyVBTXHVSHBNHQHL-UHFFFAOYSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.24
LogP ≤ 55.20
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 methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane?
The IUPAC name of methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane (CID 71350227) is methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane.
What is the SMILES notation for methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane?
The canonical SMILES for methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane is C[Si](OCC(F)(F)C(F)(F)F)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane?
The InChIKey is VBTXHVSHBNHQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F15O3Si/c1-29(26-2-5(11,12)8(17,18)19,27-3-6(13,14)9(20,21)22)28-4-7(15,16)10(23,24)25/h2-4H2,1H3.
What are the key properties of methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane?
methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane has a molecular weight of 490.24 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(2,2,3,3,3-pentafluoropropoxy)silane is sourced from PubChem (CID 71350227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).