trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane

C12H15F5O3Si — CID 141054207

IUPACtrimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane
SMILESCO[Si](OC)(OC)C(F)(F)C(F)C(F)(F)c1ccccc1
InChIInChI=1S/C12H15F5O3Si/c1-18-21(19-2,20-3)12(16,17)10(13)11(14,15)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChIKeyRKFOUDRIIBYXLR-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.17
Rot. Bonds7

About trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane

trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane (PubChem CID 141054207) has the molecular formula C12H15F5O3Si and a molecular weight of 330.33 g/mol. Its IUPAC name is trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane.

Molecular Properties

Compound Nametrimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane
PubChem CID141054207
Molecular FormulaC12H15F5O3Si
Molecular Weight330.33 g/mol
Exact Mass330.07
IUPAC Nametrimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane
SMILESCO[Si](OC)(OC)C(F)(F)C(F)C(F)(F)c1ccccc1
InChIInChI=1S/C12H15F5O3Si/c1-18-21(19-2,20-3)12(16,17)10(13)11(14,15)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChIKeyRKFOUDRIIBYXLR-UHFFFAOYSA-N
XLogP3.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane?
The IUPAC name of trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane (CID 141054207) is trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane.
What is the SMILES notation for trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane?
The canonical SMILES for trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane is CO[Si](OC)(OC)C(F)(F)C(F)C(F)(F)c1ccccc1.
What is the InChIKey of trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane?
The InChIKey is RKFOUDRIIBYXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5O3Si/c1-18-21(19-2,20-3)12(16,17)10(13)11(14,15)9-7-5-4-6-8-9/h4-8,10H,1-3H3.
What are the key properties of trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane?
trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane has a molecular weight of 330.33 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-(1,1,2,3,3-pentafluoro-3-phenylpropyl)silane is sourced from PubChem (CID 141054207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).