4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane

C15H24F2OSi — CID 90170935

IUPAC4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane
SMILESCC[Si](CC)(CCCCc1ccc(F)cc1F)OC
InChIInChI=1S/C15H24F2OSi/c1-4-19(5-2,18-3)11-7-6-8-13-9-10-14(16)12-15(13)17/h9-10,12H,4-8,11H2,1-3H3
InChIKeyKHLSDJBVTWEASJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.92
Rot. Bonds8

About 4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane

4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane (PubChem CID 90170935) has the molecular formula C15H24F2OSi and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane
PubChem CID90170935
Molecular FormulaC15H24F2OSi
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane
SMILESCC[Si](CC)(CCCCc1ccc(F)cc1F)OC
InChIInChI=1S/C15H24F2OSi/c1-4-19(5-2,18-3)11-7-6-8-13-9-10-14(16)12-15(13)17/h9-10,12H,4-8,11H2,1-3H3
InChIKeyKHLSDJBVTWEASJ-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
CID 90172058
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
CID 90173469
2,4-difluoro-1-pentylbenzene
CID 20770613
4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
CID 90175118
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
CID 90174590
2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane
CID 90170768
4-(2,4-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90172191
CID 90171923
CID 90171923
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740
3-(2,4-difluorophenyl)propyl methanesulfonate
CID 58020486

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane?
The IUPAC name of 4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane (CID 90170935) is 4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane.
What is the SMILES notation for 4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane?
The canonical SMILES for 4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane is CC[Si](CC)(CCCCc1ccc(F)cc1F)OC.
What is the InChIKey of 4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane?
The InChIKey is KHLSDJBVTWEASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2OSi/c1-4-19(5-2,18-3)11-7-6-8-13-9-10-14(16)12-15(13)17/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane?
4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane has a molecular weight of 286.44 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane is sourced from PubChem (CID 90170935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).