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

C12H21F7O4Si — CID 18519548

IUPACtriethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H21F7O4Si/c1-5-9(24(20-6-2,21-7-3)22-8-4)23-10(13,11(14,15)16)12(17,18)19/h9H,5-8H2,1-4H3
InChIKeyDZXRYBKNJNZGSS-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.16
Rot. Bonds10

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

triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane (PubChem CID 18519548) has the molecular formula C12H21F7O4Si and a molecular weight of 390.37 g/mol. Its IUPAC name is triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane
PubChem CID18519548
Molecular FormulaC12H21F7O4Si
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Nametriethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H21F7O4Si/c1-5-9(24(20-6-2,21-7-3)22-8-4)23-10(13,11(14,15)16)12(17,18)19/h9H,5-8H2,1-4H3
InChIKeyDZXRYBKNJNZGSS-UHFFFAOYSA-N
XLogP4.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(Heptafluoropropoxy)propyl](trimethoxy)silane
CID 2733757
3-(Heptafluoroisopropoxy)propyltriethoxysilane
CID 2774922
3-(Heptafluoroisopropoxy)propyltrimethoxysilane
CID 4712695
Triethoxy[3-(1,1,2,2-tetrafluoroethoxy)propyl]silane
CID 3024096
Trimethoxy(3-(1,1,2,2-tetrafluoroethoxy)propyl)silane
CID 3038540
[3-(2,2,3,3,4,4,5,5-Octafluoropentyloxy)propyl]triethoxysilane
CID 53235631
Trimethoxy-[3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propyl]silane
CID 159863300
1-(1,1,1,2,3,3,3-Heptafluoropropan-2-yloxy)propyl-tripropoxysilane
CID 18519536
1-(1,1,1,2,3,3,3-Heptafluoropropan-2-yloxy)propyl-trimethoxysilane
CID 18519537
Triethoxy-[3-(2,2,2-trifluoroethoxy)propyl]silane
CID 19733905
Trimethoxy-[1-(1,1,2,2-tetrafluoroethoxy)propyl]silane
CID 19736977
Triethoxy(3,3,4,4,4-pentafluorobutyl)silane
CID 19963837

Frequently Asked Questions

What is the IUPAC name of triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane?
The IUPAC name of triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane (CID 18519548) is triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane.
What is the SMILES notation for triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane?
The canonical SMILES for triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane is CCO[Si](OCC)(OCC)C(CC)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane?
The InChIKey is DZXRYBKNJNZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F7O4Si/c1-5-9(24(20-6-2,21-7-3)22-8-4)23-10(13,11(14,15)16)12(17,18)19/h9H,5-8H2,1-4H3.
What are the key properties of triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane?
triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane has a molecular weight of 390.37 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl]silane is sourced from PubChem (CID 18519548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).