trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane

C14H21F3OSi — CID 86225628

IUPACtrimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane
SMILESCC(CCc1ccccc1)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C14H21F3OSi/c1-13(14(15,16)17,18-19(2,3)4)11-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyFNEWNBOELZOTSN-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.79
Rot. Bonds5

About trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane

trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane (PubChem CID 86225628) has the molecular formula C14H21F3OSi and a molecular weight of 290.40 g/mol. Its IUPAC name is trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane
PubChem CID86225628
Molecular FormulaC14H21F3OSi
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Nametrimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane
SMILESCC(CCc1ccccc1)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C14H21F3OSi/c1-13(14(15,16)17,18-19(2,3)4)11-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyFNEWNBOELZOTSN-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane?
The IUPAC name of trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane (CID 86225628) is trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane.
What is the SMILES notation for trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane?
The canonical SMILES for trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane is CC(CCc1ccccc1)(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane?
The InChIKey is FNEWNBOELZOTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3OSi/c1-13(14(15,16)17,18-19(2,3)4)11-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3.
What are the key properties of trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane?
trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane has a molecular weight of 290.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane is sourced from PubChem (CID 86225628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).