[4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane

C13H12F2O3Si — CID 90171803

IUPAC[4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane
SMILESCO[Si](O)(O)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C13H12F2O3Si/c1-18-19(16,17)11-5-2-9(3-6-11)12-7-4-10(14)8-13(12)15/h2-8,16-17H,1H3
InChIKeyQITDOBFUAHNSMF-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.41
Rot. Bonds3

About [4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane

[4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane (PubChem CID 90171803) has the molecular formula C13H12F2O3Si and a molecular weight of 282.32 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane
PubChem CID90171803
Molecular FormulaC13H12F2O3Si
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name[4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane
SMILESCO[Si](O)(O)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C13H12F2O3Si/c1-18-19(16,17)11-5-2-9(3-6-11)12-7-4-10(14)8-13(12)15/h2-8,16-17H,1H3
InChIKeyQITDOBFUAHNSMF-UHFFFAOYSA-N
XLogP1.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane?
The IUPAC name of [4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane (CID 90171803) is [4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane.
What is the SMILES notation for [4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane?
The canonical SMILES for [4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane is CO[Si](O)(O)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of [4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane?
The InChIKey is QITDOBFUAHNSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O3Si/c1-18-19(16,17)11-5-2-9(3-6-11)12-7-4-10(14)8-13(12)15/h2-8,16-17H,1H3.
What are the key properties of [4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane?
[4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane has a molecular weight of 282.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane is sourced from PubChem (CID 90171803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).