triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

C13H15F7O3Si — CID 2783342

IUPACtriethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C13H15F7O3Si/c1-4-21-24(22-5-2,23-6-3)12-10(16)8(14)7(13(18,19)20)9(15)11(12)17/h4-6H2,1-3H3
InChIKeyFNHRVMWUGNXEKZ-UHFFFAOYSA-N
MW380.33 g/mol
LogP3.52
Rot. Bonds7

About triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (PubChem CID 2783342) has the molecular formula C13H15F7O3Si and a molecular weight of 380.33 g/mol. Its IUPAC name is triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Nametriethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
PubChem CID2783342
Molecular FormulaC13H15F7O3Si
Molecular Weight380.33 g/mol
Exact Mass380.07
IUPAC Nametriethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C13H15F7O3Si/c1-4-21-24(22-5-2,23-6-3)12-10(16)8(14)7(13(18,19)20)9(15)11(12)17/h4-6H2,1-3H3
InChIKeyFNHRVMWUGNXEKZ-UHFFFAOYSA-N
XLogP3.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane 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 triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The IUPAC name of triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (CID 2783342) is triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is CCO[Si](OCC)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The InChIKey is FNHRVMWUGNXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F7O3Si/c1-4-21-24(22-5-2,23-6-3)12-10(16)8(14)7(13(18,19)20)9(15)11(12)17/h4-6H2,1-3H3.
What are the key properties of triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane has a molecular weight of 380.33 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 2783342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).