trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane

C18H28F8O6Si2 — CID 87453054

IUPACtrimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane
SMILESCCC(c1c(F)c(F)c(F)c(F)c1F)[Si](OC)(OC)OC.CO[Si](CCC(F)(F)F)(OC)OC
InChIInChI=1S/C12H15F5O3Si.C6H13F3O3Si/c1-5-6(21(18-2,19-3)20-4)7-8(13)10(15)12(17)11(16)9(7)14;1-10-13(11-2,12-3)5-4-6(7,8)9/h6H,5H2,1-4H3;4-5H2,1-3H3
InChIKeyWFZKMOYTBOXREW-UHFFFAOYSA-N
MW548.57 g/mol
LogP5.11
Rot. Bonds11

About trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane

trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane (PubChem CID 87453054) has the molecular formula C18H28F8O6Si2 and a molecular weight of 548.57 g/mol. Its IUPAC name is trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Nametrimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane
PubChem CID87453054
Molecular FormulaC18H28F8O6Si2
Molecular Weight548.57 g/mol
Exact Mass548.13
IUPAC Nametrimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane
SMILESCCC(c1c(F)c(F)c(F)c(F)c1F)[Si](OC)(OC)OC.CO[Si](CCC(F)(F)F)(OC)OC
InChIInChI=1S/C12H15F5O3Si.C6H13F3O3Si/c1-5-6(21(18-2,19-3)20-4)7-8(13)10(15)12(17)11(16)9(7)14;1-10-13(11-2,12-3)5-4-6(7,8)9/h6H,5H2,1-4H3;4-5H2,1-3H3
InChIKeyWFZKMOYTBOXREW-UHFFFAOYSA-N
XLogP5.11
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.57
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane?
The IUPAC name of trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane (CID 87453054) is trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane?
The canonical SMILES for trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane is CCC(c1c(F)c(F)c(F)c(F)c1F)[Si](OC)(OC)OC.CO[Si](CCC(F)(F)F)(OC)OC.
What is the InChIKey of trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane?
The InChIKey is WFZKMOYTBOXREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5O3Si.C6H13F3O3Si/c1-5-6(21(18-2,19-3)20-4)7-8(13)10(15)12(17)11(16)9(7)14;1-10-13(11-2,12-3)5-4-6(7,8)9/h6H,5H2,1-4H3;4-5H2,1-3H3.
What are the key properties of trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane?
trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane has a molecular weight of 548.57 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-(2,3,4,5,6-pentafluorophenyl)propyl]silane;trimethoxy(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 87453054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).