ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane

C15H23F3O3Si — CID 90174390

IUPACethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
SMILESCCO[Si](CCCCCc1cc(F)c(F)c(F)c1)(OC)OC
InChIInChI=1S/C15H23F3O3Si/c1-4-21-22(19-2,20-3)9-7-5-6-8-12-10-13(16)15(18)14(17)11-12/h10-11H,4-9H2,1-3H3
InChIKeyQIBYWHNNPWLBOK-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.08
Rot. Bonds10

About ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane

ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane (PubChem CID 90174390) has the molecular formula C15H23F3O3Si and a molecular weight of 336.43 g/mol. Its IUPAC name is ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane.

Molecular Properties

Compound Nameethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
PubChem CID90174390
Molecular FormulaC15H23F3O3Si
Molecular Weight336.43 g/mol
Exact Mass336.14
IUPAC Nameethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
SMILESCCO[Si](CCCCCc1cc(F)c(F)c(F)c1)(OC)OC
InChIInChI=1S/C15H23F3O3Si/c1-4-21-22(19-2,20-3)9-7-5-6-8-12-10-13(16)15(18)14(17)11-12/h10-11H,4-9H2,1-3H3
InChIKeyQIBYWHNNPWLBOK-UHFFFAOYSA-N
XLogP4.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.08
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_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane with MolForge

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

Launch Full Analysis

Related Compounds

diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
CID 90174295
methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane
CID 90173436
ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane
CID 90172834
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90172630
4-[3,5-bis(trifluoromethyl)phenyl]butyl-diethoxy-methoxysilane
CID 90171444
ethoxy-dimethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90174742
triethoxy-[(3,4,5-trifluorophenyl)methyl]silane
CID 90172012
diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
CID 90174294
triethoxy-[5-(3-fluorophenyl)pentyl]silane
CID 90172319
triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
CID 90172549

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane?
The IUPAC name of ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane (CID 90174390) is ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane.
What is the SMILES notation for ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane?
The canonical SMILES for ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane is CCO[Si](CCCCCc1cc(F)c(F)c(F)c1)(OC)OC.
What is the InChIKey of ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane?
The InChIKey is QIBYWHNNPWLBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O3Si/c1-4-21-22(19-2,20-3)9-7-5-6-8-12-10-13(16)15(18)14(17)11-12/h10-11H,4-9H2,1-3H3.
What are the key properties of ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane?
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane has a molecular weight of 336.43 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane is sourced from PubChem (CID 90174390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).