fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride

C8H9F5Si — CID 174679622

IUPACfluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride
SMILESC[Si](F)(c1ccccc1)C(F)(F)F.F
InChIInChI=1S/C8H8F4Si.FH/c1-13(12,8(9,10)11)7-5-3-2-4-6-7;/h2-6H,1H3;1H
InChIKeyUNTCSTNNNKRUHL-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.69
Rot. Bonds1

About fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride

fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride (PubChem CID 174679622) has the molecular formula C8H9F5Si and a molecular weight of 228.24 g/mol. Its IUPAC name is fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride.

Molecular Properties

Compound Namefluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride
PubChem CID174679622
Molecular FormulaC8H9F5Si
Molecular Weight228.24 g/mol
Exact Mass228.04
IUPAC Namefluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride
SMILESC[Si](F)(c1ccccc1)C(F)(F)F.F
InChIInChI=1S/C8H8F4Si.FH/c1-13(12,8(9,10)11)7-5-3-2-4-6-7;/h2-6H,1H3;1H
InChIKeyUNTCSTNNNKRUHL-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride?
The IUPAC name of fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride (CID 174679622) is fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride.
What is the SMILES notation for fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride?
The canonical SMILES for fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride is C[Si](F)(c1ccccc1)C(F)(F)F.F.
What is the InChIKey of fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride?
The InChIKey is UNTCSTNNNKRUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4Si.FH/c1-13(12,8(9,10)11)7-5-3-2-4-6-7;/h2-6H,1H3;1H.
What are the key properties of fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride?
fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride has a molecular weight of 228.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride is sourced from PubChem (CID 174679622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).