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

C15H21F5O3Si — CID 18188374

IUPACtriethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESCCO[Si](CCCc1c(F)c(F)c(F)c(F)c1F)(OCC)OCC
InChIInChI=1S/C15H21F5O3Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-10-11(16)13(18)15(20)14(19)12(10)17/h4-9H2,1-3H3
InChIKeyKEEJQRFCQUMHPO-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.36
Rot. Bonds10

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

triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (PubChem CID 18188374) has the molecular formula C15H21F5O3Si and a molecular weight of 372.41 g/mol. Its IUPAC name is triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
PubChem CID18188374
Molecular FormulaC15H21F5O3Si
Molecular Weight372.41 g/mol
Exact Mass372.12
IUPAC Nametriethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESCCO[Si](CCCc1c(F)c(F)c(F)c(F)c1F)(OCC)OCC
InChIInChI=1S/C15H21F5O3Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-10-11(16)13(18)15(20)14(19)12(10)17/h4-9H2,1-3H3
InChIKeyKEEJQRFCQUMHPO-UHFFFAOYSA-N
XLogP4.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The IUPAC name of triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (CID 18188374) is triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.
What is the SMILES notation for triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The canonical SMILES for triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is CCO[Si](CCCc1c(F)c(F)c(F)c(F)c1F)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The InChIKey is KEEJQRFCQUMHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F5O3Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-10-11(16)13(18)15(20)14(19)12(10)17/h4-9H2,1-3H3.
What are the key properties of triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane has a molecular weight of 372.41 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is sourced from PubChem (CID 18188374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).