5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane

C15H24F2O2Si — CID 90172058

IUPAC5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
SMILESCC[Si](CCCCCc1ccc(F)cc1F)(OC)OC
InChIInChI=1S/C15H24F2O2Si/c1-4-20(18-2,19-3)11-7-5-6-8-13-9-10-14(16)12-15(13)17/h9-10,12H,4-8,11H2,1-3H3
InChIKeyPOLIQTRTIHKMPO-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.43
Rot. Bonds9

About 5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane

5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane (PubChem CID 90172058) has the molecular formula C15H24F2O2Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
PubChem CID90172058
Molecular FormulaC15H24F2O2Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
SMILESCC[Si](CCCCCc1ccc(F)cc1F)(OC)OC
InChIInChI=1S/C15H24F2O2Si/c1-4-20(18-2,19-3)11-7-5-6-8-13-9-10-14(16)12-15(13)17/h9-10,12H,4-8,11H2,1-3H3
InChIKeyPOLIQTRTIHKMPO-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.43
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-diethyl-methoxysilane
CID 90170935
ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174756
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
CID 90173469
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
2,4-difluoro-1-pentylbenzene
CID 20770613
4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
CID 90175118
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
11-[ethyl(dimethoxy)silyl]undecan-1-amine
CID 88501782
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane?
The IUPAC name of 5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane (CID 90172058) is 5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane.
What is the SMILES notation for 5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane?
The canonical SMILES for 5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane is CC[Si](CCCCCc1ccc(F)cc1F)(OC)OC.
What is the InChIKey of 5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane?
The InChIKey is POLIQTRTIHKMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O2Si/c1-4-20(18-2,19-3)11-7-5-6-8-13-9-10-14(16)12-15(13)17/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane?
5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane has a molecular weight of 302.44 g/mol, XLogP of 4.43, 9 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-ethyl-dimethoxysilane is sourced from PubChem (CID 90172058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).