4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane

C14H22F2O3Si — CID 90175118

IUPAC4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
SMILESCCO[Si](O)(CCCCc1ccc(F)cc1F)OCC
InChIInChI=1S/C14H22F2O3Si/c1-3-18-20(17,19-4-2)10-6-5-7-12-8-9-13(15)11-14(12)16/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyYVQUTKAHCKCCMJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.29
Rot. Bonds9

About 4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane

4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane (PubChem CID 90175118) has the molecular formula C14H22F2O3Si and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
PubChem CID90175118
Molecular FormulaC14H22F2O3Si
Molecular Weight304.41 g/mol
Exact Mass304.13
IUPAC Name4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
SMILESCCO[Si](O)(CCCCc1ccc(F)cc1F)OCC
InChIInChI=1S/C14H22F2O3Si/c1-3-18-20(17,19-4-2)10-6-5-7-12-8-9-13(15)11-14(12)16/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyYVQUTKAHCKCCMJ-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-diethoxy-methylsilane
CID 90173469
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
4-(2,4-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90172191
diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
CID 90170541
4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane
CID 90170935
2,4-difluoro-1-pentylbenzene
CID 20770613
5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
CID 90172058
5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
CID 90174590
2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane
CID 90170768
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
(2,4-difluorophenyl)-diethoxy-hydroxysilane
CID 90171252
diethoxy-hydroxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
CID 90174294

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane?
The IUPAC name of 4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane (CID 90175118) is 4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane.
What is the SMILES notation for 4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane?
The canonical SMILES for 4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane is CCO[Si](O)(CCCCc1ccc(F)cc1F)OCC.
What is the InChIKey of 4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane?
The InChIKey is YVQUTKAHCKCCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O3Si/c1-3-18-20(17,19-4-2)10-6-5-7-12-8-9-13(15)11-14(12)16/h8-9,11,17H,3-7,10H2,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane?
4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane has a molecular weight of 304.41 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane is sourced from PubChem (CID 90175118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).