5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane

C16H26F2O2Si — CID 90173469

IUPAC5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCCCCc1ccc(F)cc1F)OCC
InChIInChI=1S/C16H26F2O2Si/c1-4-19-21(3,20-5-2)12-8-6-7-9-14-10-11-15(17)13-16(14)18/h10-11,13H,4-9,12H2,1-3H3
InChIKeyZLRDJYXLUSDELI-UHFFFAOYSA-N
MW316.46 g/mol
LogP4.82
Rot. Bonds10

About 5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane

5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane (PubChem CID 90173469) has the molecular formula C16H26F2O2Si and a molecular weight of 316.46 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
PubChem CID90173469
Molecular FormulaC16H26F2O2Si
Molecular Weight316.46 g/mol
Exact Mass316.17
IUPAC Name5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCCCCc1ccc(F)cc1F)OCC
InChIInChI=1S/C16H26F2O2Si/c1-4-19-21(3,20-5-2)12-8-6-7-9-14-10-11-15(17)13-16(14)18/h10-11,13H,4-9,12H2,1-3H3
InChIKeyZLRDJYXLUSDELI-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
CID 90175118
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
CID 90172058
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90173067
4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane
CID 90170935
diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
CID 90171092
2,4-difluoro-1-pentylbenzene
CID 20770613
5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
CID 90174590
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
4-(2,4-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90172191
3-(3,4-difluorophenyl)propyl-diethoxy-methylsilane
CID 90172780
2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane
CID 90170768

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane?
The IUPAC name of 5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane (CID 90173469) is 5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane.
What is the SMILES notation for 5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane?
The canonical SMILES for 5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane is CCO[Si](C)(CCCCCc1ccc(F)cc1F)OCC.
What is the InChIKey of 5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane?
The InChIKey is ZLRDJYXLUSDELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O2Si/c1-4-19-21(3,20-5-2)12-8-6-7-9-14-10-11-15(17)13-16(14)18/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane?
5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane has a molecular weight of 316.46 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane is sourced from PubChem (CID 90173469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).