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

C17H17F5OSi — CID 91697506

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane
SMILESCC(C)c1ccccc1O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H17F5OSi/c1-9(2)10-7-5-6-8-11(10)23-24(3,4)17-15(21)13(19)12(18)14(20)16(17)22/h5-9H,1-4H3
InChIKeyMFBVEGAWNYGEDL-UHFFFAOYSA-N
MW360.40 g/mol
LogP5.00
Rot. Bonds4

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

dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane (PubChem CID 91697506) has the molecular formula C17H17F5OSi and a molecular weight of 360.40 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane
PubChem CID91697506
Molecular FormulaC17H17F5OSi
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane
SMILESCC(C)c1ccccc1O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H17F5OSi/c1-9(2)10-7-5-6-8-11(10)23-24(3,4)17-15(21)13(19)12(18)14(20)16(17)22/h5-9H,1-4H3
InChIKeyMFBVEGAWNYGEDL-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 55.00
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)-(2-propan-2-ylphenoxy)silane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane (CID 91697506) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane is CC(C)c1ccccc1O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane?
The InChIKey is MFBVEGAWNYGEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F5OSi/c1-9(2)10-7-5-6-8-11(10)23-24(3,4)17-15(21)13(19)12(18)14(20)16(17)22/h5-9H,1-4H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-(2-propan-2-ylphenoxy)silane has a molecular weight of 360.40 g/mol, XLogP of 5.00, 4 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)-(2-propan-2-ylphenoxy)silane is sourced from PubChem (CID 91697506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).