triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane

C12H21F7O4Si — CID 2774922

IUPACtriethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane
SMILESCCO[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C12H21F7O4Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-20-10(13,11(14,15)16)12(17,18)19/h4-9H2,1-3H3
InChIKeyCUVIJHAPWYUQIV-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.23
Rot. Bonds11

About triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane

triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane (PubChem CID 2774922) has the molecular formula C12H21F7O4Si and a molecular weight of 390.37 g/mol. Its IUPAC name is triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane
PubChem CID2774922
Molecular FormulaC12H21F7O4Si
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Nametriethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane
SMILESCCO[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C12H21F7O4Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-20-10(13,11(14,15)16)12(17,18)19/h4-9H2,1-3H3
InChIKeyCUVIJHAPWYUQIV-UHFFFAOYSA-N
XLogP4.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane?
The IUPAC name of triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane (CID 2774922) is triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane.
What is the SMILES notation for triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane?
The canonical SMILES for triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane is CCO[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane?
The InChIKey is CUVIJHAPWYUQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F7O4Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-20-10(13,11(14,15)16)12(17,18)19/h4-9H2,1-3H3.
What are the key properties of triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane?
triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane has a molecular weight of 390.37 g/mol, XLogP of 4.23, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane is sourced from PubChem (CID 2774922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).