dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane

C11H13F5OSi — CID 523428

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane
SMILESCC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H13F5OSi/c1-5(2)17-18(3,4)11-9(15)7(13)6(12)8(14)10(11)16/h5H,1-4H3
InChIKeyJXRAWRJBSKAKSF-UHFFFAOYSA-N
MW284.30 g/mol
LogP3.22
Rot. Bonds3

About dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane

dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane (PubChem CID 523428) has the molecular formula C11H13F5OSi and a molecular weight of 284.30 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane
PubChem CID523428
Molecular FormulaC11H13F5OSi
Molecular Weight284.30 g/mol
Exact Mass284.07
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane
SMILESCC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H13F5OSi/c1-5(2)17-18(3,4)11-9(15)7(13)6(12)8(14)10(11)16/h5H,1-4H3
InChIKeyJXRAWRJBSKAKSF-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane (CID 523428) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane is CC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane?
The InChIKey is JXRAWRJBSKAKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5OSi/c1-5(2)17-18(3,4)11-9(15)7(13)6(12)8(14)10(11)16/h5H,1-4H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane has a molecular weight of 284.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentafluorophenyl)-propan-2-yloxysilane is sourced from PubChem (CID 523428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).