trimethyl 6,6,6-trifluorohexyl silicate

C9H19F3O4Si — CID 87152992

IUPACtrimethyl 6,6,6-trifluorohexyl silicate
SMILESCO[Si](OC)(OC)OCCCCCC(F)(F)F
InChIInChI=1S/C9H19F3O4Si/c1-13-17(14-2,15-3)16-8-6-4-5-7-9(10,11)12/h4-8H2,1-3H3
InChIKeyGYTYOIHJLHWYSE-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.50
Rot. Bonds9

About trimethyl 6,6,6-trifluorohexyl silicate

trimethyl 6,6,6-trifluorohexyl silicate (PubChem CID 87152992) has the molecular formula C9H19F3O4Si and a molecular weight of 276.33 g/mol. Its IUPAC name is trimethyl 6,6,6-trifluorohexyl silicate.

Molecular Properties

Compound Nametrimethyl 6,6,6-trifluorohexyl silicate
PubChem CID87152992
Molecular FormulaC9H19F3O4Si
Molecular Weight276.33 g/mol
Exact Mass276.10
IUPAC Nametrimethyl 6,6,6-trifluorohexyl silicate
SMILESCO[Si](OC)(OC)OCCCCCC(F)(F)F
InChIInChI=1S/C9H19F3O4Si/c1-13-17(14-2,15-3)16-8-6-4-5-7-9(10,11)12/h4-8H2,1-3H3
InChIKeyGYTYOIHJLHWYSE-UHFFFAOYSA-N
XLogP2.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl 6,6,6-trifluorohexyl silicate?
The IUPAC name of trimethyl 6,6,6-trifluorohexyl silicate (CID 87152992) is trimethyl 6,6,6-trifluorohexyl silicate.
What is the SMILES notation for trimethyl 6,6,6-trifluorohexyl silicate?
The canonical SMILES for trimethyl 6,6,6-trifluorohexyl silicate is CO[Si](OC)(OC)OCCCCCC(F)(F)F.
What is the InChIKey of trimethyl 6,6,6-trifluorohexyl silicate?
The InChIKey is GYTYOIHJLHWYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3O4Si/c1-13-17(14-2,15-3)16-8-6-4-5-7-9(10,11)12/h4-8H2,1-3H3.
What are the key properties of trimethyl 6,6,6-trifluorohexyl silicate?
trimethyl 6,6,6-trifluorohexyl silicate has a molecular weight of 276.33 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 6,6,6-trifluorohexyl silicate is sourced from PubChem (CID 87152992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).