1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane

C15H27F7O4Si — CID 18519536

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane
SMILESCCCO[Si](OCCC)(OCCC)C(CC)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H27F7O4Si/c1-5-9-23-27(24-10-6-2,25-11-7-3)12(8-4)26-13(16,14(17,18)19)15(20,21)22/h12H,5-11H2,1-4H3
InChIKeyWFONHLCEQAVBCR-UHFFFAOYSA-N
MW432.45 g/mol
LogP5.33
Rot. Bonds13

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane (PubChem CID 18519536) has the molecular formula C15H27F7O4Si and a molecular weight of 432.45 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane
PubChem CID18519536
Molecular FormulaC15H27F7O4Si
Molecular Weight432.45 g/mol
Exact Mass432.16
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane
SMILESCCCO[Si](OCCC)(OCCC)C(CC)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H27F7O4Si/c1-5-9-23-27(24-10-6-2,25-11-7-3)12(8-4)26-13(16,14(17,18)19)15(20,21)22/h12H,5-11H2,1-4H3
InChIKeyWFONHLCEQAVBCR-UHFFFAOYSA-N
XLogP5.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane (CID 18519536) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane is CCCO[Si](OCCC)(OCCC)C(CC)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane?
The InChIKey is WFONHLCEQAVBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F7O4Si/c1-5-9-23-27(24-10-6-2,25-11-7-3)12(8-4)26-13(16,14(17,18)19)15(20,21)22/h12H,5-11H2,1-4H3.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane has a molecular weight of 432.45 g/mol, XLogP of 5.33, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-tripropoxysilane is sourced from PubChem (CID 18519536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).