[4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane

C17H20F2O3Si — CID 90171280

IUPAC[4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane
SMILESCO[Si](OC)(OC(C)C)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H20F2O3Si/c1-12(2)22-23(20-3,21-4)15-8-5-13(6-9-15)16-10-7-14(18)11-17(16)19/h5-12H,1-4H3
InChIKeyJZXDZRXQFGRGIB-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.50
Rot. Bonds6

About [4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane

[4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane (PubChem CID 90171280) has the molecular formula C17H20F2O3Si and a molecular weight of 338.43 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane
PubChem CID90171280
Molecular FormulaC17H20F2O3Si
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name[4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane
SMILESCO[Si](OC)(OC(C)C)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H20F2O3Si/c1-12(2)22-23(20-3,21-4)15-8-5-13(6-9-15)16-10-7-14(18)11-17(16)19/h5-12H,1-4H3
InChIKeyJZXDZRXQFGRGIB-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
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]-dimethoxy-propan-2-yloxysilane?
The IUPAC name of [4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane (CID 90171280) is [4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane.
What is the SMILES notation for [4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane?
The canonical SMILES for [4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane is CO[Si](OC)(OC(C)C)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of [4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane?
The InChIKey is JZXDZRXQFGRGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2O3Si/c1-12(2)22-23(20-3,21-4)15-8-5-13(6-9-15)16-10-7-14(18)11-17(16)19/h5-12H,1-4H3.
What are the key properties of [4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane?
[4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane has a molecular weight of 338.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)phenyl]-dimethoxy-propan-2-yloxysilane is sourced from PubChem (CID 90171280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).