dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane

C14H11F5OSi — CID 523446

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane
SMILESC[Si](C)(Oc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H11F5OSi/c1-21(2,20-8-6-4-3-5-7-8)14-12(18)10(16)9(15)11(17)13(14)19/h3-7H,1-2H3
InChIKeyMOEXGEHFQPNSGK-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.87
Rot. Bonds3

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

dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane (PubChem CID 523446) has the molecular formula C14H11F5OSi and a molecular weight of 318.32 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane
PubChem CID523446
Molecular FormulaC14H11F5OSi
Molecular Weight318.32 g/mol
Exact Mass318.05
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane
SMILESC[Si](C)(Oc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H11F5OSi/c1-21(2,20-8-6-4-3-5-7-8)14-12(18)10(16)9(15)11(17)13(14)19/h3-7H,1-2H3
InChIKeyMOEXGEHFQPNSGK-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.87
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)-phenoxysilane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane (CID 523446) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane is C[Si](C)(Oc1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane?
The InChIKey is MOEXGEHFQPNSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5OSi/c1-21(2,20-8-6-4-3-5-7-8)14-12(18)10(16)9(15)11(17)13(14)19/h3-7H,1-2H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-phenoxysilane has a molecular weight of 318.32 g/mol, XLogP of 3.87, 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)-phenoxysilane is sourced from PubChem (CID 523446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).