trimethyl [2-(trifluoromethyl)phenyl] silicate

C10H13F3O4Si — CID 174929764

IUPACtrimethyl [2-(trifluoromethyl)phenyl] silicate
SMILESCO[Si](OC)(OC)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C10H13F3O4Si/c1-14-18(15-2,16-3)17-9-7-5-4-6-8(9)10(11,12)13/h4-7H,1-3H3
InChIKeyGTTWQIUPPZMFIX-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.46
Rot. Bonds5

About trimethyl [2-(trifluoromethyl)phenyl] silicate

trimethyl [2-(trifluoromethyl)phenyl] silicate (PubChem CID 174929764) has the molecular formula C10H13F3O4Si and a molecular weight of 282.29 g/mol. Its IUPAC name is trimethyl [2-(trifluoromethyl)phenyl] silicate.

Molecular Properties

Compound Nametrimethyl [2-(trifluoromethyl)phenyl] silicate
PubChem CID174929764
Molecular FormulaC10H13F3O4Si
Molecular Weight282.29 g/mol
Exact Mass282.05
IUPAC Nametrimethyl [2-(trifluoromethyl)phenyl] silicate
SMILESCO[Si](OC)(OC)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C10H13F3O4Si/c1-14-18(15-2,16-3)17-9-7-5-4-6-8(9)10(11,12)13/h4-7H,1-3H3
InChIKeyGTTWQIUPPZMFIX-UHFFFAOYSA-N
XLogP2.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl [2-(trifluoromethyl)phenyl] silicate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl [2-(trifluoromethyl)phenyl] silicate?
The IUPAC name of trimethyl [2-(trifluoromethyl)phenyl] silicate (CID 174929764) is trimethyl [2-(trifluoromethyl)phenyl] silicate.
What is the SMILES notation for trimethyl [2-(trifluoromethyl)phenyl] silicate?
The canonical SMILES for trimethyl [2-(trifluoromethyl)phenyl] silicate is CO[Si](OC)(OC)Oc1ccccc1C(F)(F)F.
What is the InChIKey of trimethyl [2-(trifluoromethyl)phenyl] silicate?
The InChIKey is GTTWQIUPPZMFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O4Si/c1-14-18(15-2,16-3)17-9-7-5-4-6-8(9)10(11,12)13/h4-7H,1-3H3.
What are the key properties of trimethyl [2-(trifluoromethyl)phenyl] silicate?
trimethyl [2-(trifluoromethyl)phenyl] silicate has a molecular weight of 282.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl [2-(trifluoromethyl)phenyl] silicate is sourced from PubChem (CID 174929764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).