1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane

C9H15F7O4Si — CID 154114644

IUPAC1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane
SMILESCO[Si](OC)(OCOC(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H15F7O4Si/c1-6(2)19-5-20-21(17-3,18-4)9(15,16)7(10,11)8(12,13)14/h6H,5H2,1-4H3
InChIKeyFZUODJYEDTZNPF-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.99
Rot. Bonds8

About 1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane

1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane (PubChem CID 154114644) has the molecular formula C9H15F7O4Si and a molecular weight of 348.29 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane
PubChem CID154114644
Molecular FormulaC9H15F7O4Si
Molecular Weight348.29 g/mol
Exact Mass348.06
IUPAC Name1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane
SMILESCO[Si](OC)(OCOC(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H15F7O4Si/c1-6(2)19-5-20-21(17-3,18-4)9(15,16)7(10,11)8(12,13)14/h6H,5H2,1-4H3
InChIKeyFZUODJYEDTZNPF-UHFFFAOYSA-N
XLogP2.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane (CID 154114644) is 1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane is CO[Si](OC)(OCOC(C)C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane?
The InChIKey is FZUODJYEDTZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F7O4Si/c1-6(2)19-5-20-21(17-3,18-4)9(15,16)7(10,11)8(12,13)14/h6H,5H2,1-4H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane?
1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane has a molecular weight of 348.29 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropyl-dimethoxy-(propan-2-yloxymethoxy)silane is sourced from PubChem (CID 154114644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).