2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane

C9H12F2O3Si — CID 90170768

IUPAC2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane
SMILESCO[Si](O)(O)CCc1ccc(F)cc1F
InChIInChI=1S/C9H12F2O3Si/c1-14-15(12,13)5-4-7-2-3-8(10)6-9(7)11/h2-3,6,12-13H,4-5H2,1H3
InChIKeyZRRJBAXZXJARMN-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.08
Rot. Bonds4

About 2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane

2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane (PubChem CID 90170768) has the molecular formula C9H12F2O3Si and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane
PubChem CID90170768
Molecular FormulaC9H12F2O3Si
Molecular Weight234.27 g/mol
Exact Mass234.05
IUPAC Name2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane
SMILESCO[Si](O)(O)CCc1ccc(F)cc1F
InChIInChI=1S/C9H12F2O3Si/c1-14-15(12,13)5-4-7-2-3-8(10)6-9(7)11/h2-3,6,12-13H,4-5H2,1H3
InChIKeyZRRJBAXZXJARMN-UHFFFAOYSA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-methoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90170374
4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane
CID 90170935
5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
CID 90172058
4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
CID 90175118
4-(2,4-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90172191
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90174072
4-(2,4-difluorophenyl)butan-2-one
CID 62197971
5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
CID 90173469
(2,4-difluorophenyl)-hydroxy-dimethoxysilane
CID 90175103
2,4-difluoro-1-pentylbenzene
CID 20770613

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane?
The IUPAC name of 2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane (CID 90170768) is 2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane.
What is the SMILES notation for 2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane?
The canonical SMILES for 2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane is CO[Si](O)(O)CCc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane?
The InChIKey is ZRRJBAXZXJARMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O3Si/c1-14-15(12,13)5-4-7-2-3-8(10)6-9(7)11/h2-3,6,12-13H,4-5H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane?
2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane has a molecular weight of 234.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane is sourced from PubChem (CID 90170768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).