triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate

C9H16F6O4Si — CID 11056596

IUPACtriethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate
SMILESCCO[Si](OCC)(OCC)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16F6O4Si/c1-4-16-20(17-5-2,18-6-3)19-7(8(10,11)12)9(13,14)15/h7H,4-6H2,1-3H3
InChIKeyOWRPYTKOCFTMLB-UHFFFAOYSA-N
MW330.30 g/mol
LogP3.04
Rot. Bonds8

About triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate

triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate (PubChem CID 11056596) has the molecular formula C9H16F6O4Si and a molecular weight of 330.30 g/mol. Its IUPAC name is triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate.

Molecular Properties

Compound Nametriethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate
PubChem CID11056596
Molecular FormulaC9H16F6O4Si
Molecular Weight330.30 g/mol
Exact Mass330.07
IUPAC Nametriethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate
SMILESCCO[Si](OCC)(OCC)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16F6O4Si/c1-4-16-20(17-5-2,18-6-3)19-7(8(10,11)12)9(13,14)15/h7H,4-6H2,1-3H3
InChIKeyOWRPYTKOCFTMLB-UHFFFAOYSA-N
XLogP3.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(1,1,1,3,3,3-hexafluoroisopropyl) Orthosilicate
CID 11542124
Tetrakis(2,2,3,3-tetrafluoropropyl) silicate
CID 13310506
Ethyl bis(2,2,3,3-tetrafluoropropyl) 2,2,2-trifluoroethyl silicate
CID 20577558
Diethyl bis(2,2,3,3-tetrafluoropropyl) silicate
CID 20697906
Dimethyl bis(2,2,3,3,3-pentafluoropropyl) silicate
CID 20697908
Triethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl] silicate
CID 59651425
Tri(propan-2-yloxy)-(1,1,2-trifluoropropyl)silane
CID 87076727
Di(propan-2-yloxy)-bis(trifluoromethyl)silane
CID 87192645
Tetrakis(1,1,2-trifluoropropyl) silicate
CID 87192675
Tetrakis(3,3,3-trifluoropropyl) silicate
CID 87192676
Tetrakis(1,2,3-trifluoropropyl) silicate
CID 87192677
Tetrakis(1,1,2-trifluoropropan-2-yl) silicate
CID 87192906

Frequently Asked Questions

What is the IUPAC name of triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate?
The IUPAC name of triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate (CID 11056596) is triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate.
What is the SMILES notation for triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate?
The canonical SMILES for triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate is CCO[Si](OCC)(OCC)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate?
The InChIKey is OWRPYTKOCFTMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F6O4Si/c1-4-16-20(17-5-2,18-6-3)19-7(8(10,11)12)9(13,14)15/h7H,4-6H2,1-3H3.
What are the key properties of triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate?
triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate has a molecular weight of 330.30 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 1,1,1,3,3,3-hexafluoropropan-2-yl silicate is sourced from PubChem (CID 11056596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).