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

C16H15F5OSi — CID 532670

IUPAC(3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCc1cc(C)cc(O[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C16H15F5OSi/c1-8-5-9(2)7-10(6-8)22-23(3,4)16-14(20)12(18)11(17)13(19)15(16)21/h5-7H,1-4H3
InChIKeyLCKFAYGNZDLAHR-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.49
Rot. Bonds3

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

(3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 532670) has the molecular formula C16H15F5OSi and a molecular weight of 346.37 g/mol. Its IUPAC name is (3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name(3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID532670
Molecular FormulaC16H15F5OSi
Molecular Weight346.37 g/mol
Exact Mass346.08
IUPAC Name(3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCc1cc(C)cc(O[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C16H15F5OSi/c1-8-5-9(2)7-10(6-8)22-23(3,4)16-14(20)12(18)11(17)13(19)15(16)21/h5-7H,1-4H3
InChIKeyLCKFAYGNZDLAHR-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.49
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 (3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of (3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 532670) is (3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for (3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for (3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is Cc1cc(C)cc(O[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of (3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is LCKFAYGNZDLAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5OSi/c1-8-5-9(2)7-10(6-8)22-23(3,4)16-14(20)12(18)11(17)13(19)15(16)21/h5-7H,1-4H3.
What are the key properties of (3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
(3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 346.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenoxy)-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 532670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).