triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate

C11H20F6O4Si — CID 59651425

IUPACtriethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate
SMILESCCO[Si](OCC)(OCC)OC(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H20F6O4Si/c1-5-9(10(12,13)14,11(15,16)17)21-22(18-6-2,19-7-3)20-8-4/h5-8H2,1-4H3
InChIKeyJFCBUCQRGGTMOF-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.82
Rot. Bonds9

About triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate

triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate (PubChem CID 59651425) has the molecular formula C11H20F6O4Si and a molecular weight of 358.35 g/mol. Its IUPAC name is triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate.

Molecular Properties

Compound Nametriethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate
PubChem CID59651425
Molecular FormulaC11H20F6O4Si
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Nametriethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate
SMILESCCO[Si](OCC)(OCC)OC(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H20F6O4Si/c1-5-9(10(12,13)14,11(15,16)17)21-22(18-6-2,19-7-3)20-8-4/h5-8H2,1-4H3
InChIKeyJFCBUCQRGGTMOF-UHFFFAOYSA-N
XLogP3.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate?
The IUPAC name of triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate (CID 59651425) is triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate.
What is the SMILES notation for triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate?
The canonical SMILES for triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate is CCO[Si](OCC)(OCC)OC(CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate?
The InChIKey is JFCBUCQRGGTMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F6O4Si/c1-5-9(10(12,13)14,11(15,16)17)21-22(18-6-2,19-7-3)20-8-4/h5-8H2,1-4H3.
What are the key properties of triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate?
triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate has a molecular weight of 358.35 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate is sourced from PubChem (CID 59651425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).