6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane

C16H26F2O3Si — CID 90171825

IUPAC6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
SMILESCCO[Si](CCCCCCc1ccc(F)cc1F)(OC)OC
InChIInChI=1S/C16H26F2O3Si/c1-4-21-22(19-2,20-3)12-8-6-5-7-9-14-10-11-15(17)13-16(14)18/h10-11,13H,4-9,12H2,1-3H3
InChIKeyVPTYAHLJSMZXHZ-UHFFFAOYSA-N
MW332.46 g/mol
LogP4.34
Rot. Bonds11

About 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane

6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane (PubChem CID 90171825) has the molecular formula C16H26F2O3Si and a molecular weight of 332.46 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
PubChem CID90171825
Molecular FormulaC16H26F2O3Si
Molecular Weight332.46 g/mol
Exact Mass332.16
IUPAC Name6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
SMILESCCO[Si](CCCCCCc1ccc(F)cc1F)(OC)OC
InChIInChI=1S/C16H26F2O3Si/c1-4-21-22(19-2,20-3)12-8-6-5-7-9-14-10-11-15(17)13-16(14)18/h10-11,13H,4-9,12H2,1-3H3
InChIKeyVPTYAHLJSMZXHZ-UHFFFAOYSA-N
XLogP4.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane 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

5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
CID 90173469
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
CID 90172058
4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
CID 90175118
ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane
CID 90172834
4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane
CID 90170935
5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
CID 90174590
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90174390
ethoxy-dimethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90174742
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
2,4-difluoro-1-pentylbenzene
CID 20770613
triethoxy-[5-(3-fluorophenyl)pentyl]silane
CID 90172319

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane?
The IUPAC name of 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane (CID 90171825) is 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane.
What is the SMILES notation for 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane?
The canonical SMILES for 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane is CCO[Si](CCCCCCc1ccc(F)cc1F)(OC)OC.
What is the InChIKey of 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane?
The InChIKey is VPTYAHLJSMZXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O3Si/c1-4-21-22(19-2,20-3)12-8-6-5-7-9-14-10-11-15(17)13-16(14)18/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane?
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane has a molecular weight of 332.46 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane is sourced from PubChem (CID 90171825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).