triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane

C19H29F5O3Si — CID 90172549

IUPACtriethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
SMILESCCO[Si](CCCCCCCc1c(F)c(F)c(F)c(F)c1F)(OCC)OCC
InChIInChI=1S/C19H29F5O3Si/c1-4-25-28(26-5-2,27-6-3)13-11-9-7-8-10-12-14-15(20)17(22)19(24)18(23)16(14)21/h4-13H2,1-3H3
InChIKeySXKQIQQJMLEOIB-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.92
Rot. Bonds14

About triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane

triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane (PubChem CID 90172549) has the molecular formula C19H29F5O3Si and a molecular weight of 428.51 g/mol. Its IUPAC name is triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane.

Molecular Properties

Compound Nametriethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
PubChem CID90172549
Molecular FormulaC19H29F5O3Si
Molecular Weight428.51 g/mol
Exact Mass428.18
IUPAC Nametriethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
SMILESCCO[Si](CCCCCCCc1c(F)c(F)c(F)c(F)c1F)(OCC)OCC
InChIInChI=1S/C19H29F5O3Si/c1-4-25-28(26-5-2,27-6-3)13-11-9-7-8-10-12-14-15(20)17(22)19(24)18(23)16(14)21/h4-13H2,1-3H3
InChIKeySXKQIQQJMLEOIB-UHFFFAOYSA-N
XLogP5.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane?
The IUPAC name of triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane (CID 90172549) is triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane.
What is the SMILES notation for triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane?
The canonical SMILES for triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane is CCO[Si](CCCCCCCc1c(F)c(F)c(F)c(F)c1F)(OCC)OCC.
What is the InChIKey of triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane?
The InChIKey is SXKQIQQJMLEOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F5O3Si/c1-4-25-28(26-5-2,27-6-3)13-11-9-7-8-10-12-14-15(20)17(22)19(24)18(23)16(14)21/h4-13H2,1-3H3.
What are the key properties of triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane?
triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane has a molecular weight of 428.51 g/mol, XLogP of 5.92, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane is sourced from PubChem (CID 90172549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).