bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane

C16H6F14Si — CID 12073570

IUPACbis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane
SMILESFC(F)(F)c1cccc(C(F)(F)F)c1[Si](F)(F)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C16H6F14Si/c17-13(18,19)7-3-1-4-8(14(20,21)22)11(7)31(29,30)12-9(15(23,24)25)5-2-6-10(12)16(26,27)28/h1-6H
InChIKeySHZNSEAJOBYHQA-UHFFFAOYSA-N
MW492.28 g/mol
LogP6.26
Rot. Bonds2

About bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane

bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane (PubChem CID 12073570) has the molecular formula C16H6F14Si and a molecular weight of 492.28 g/mol. Its IUPAC name is bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane.

Molecular Properties

Compound Namebis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane
PubChem CID12073570
Molecular FormulaC16H6F14Si
Molecular Weight492.28 g/mol
Exact Mass492.00
IUPAC Namebis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane
SMILESFC(F)(F)c1cccc(C(F)(F)F)c1[Si](F)(F)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C16H6F14Si/c17-13(18,19)7-3-1-4-8(14(20,21)22)11(7)31(29,30)12-9(15(23,24)25)5-2-6-10(12)16(26,27)28/h1-6H
InChIKeySHZNSEAJOBYHQA-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.28
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane 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 bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane?
The IUPAC name of bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane (CID 12073570) is bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane.
What is the SMILES notation for bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane?
The canonical SMILES for bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane is FC(F)(F)c1cccc(C(F)(F)F)c1[Si](F)(F)c1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane?
The InChIKey is SHZNSEAJOBYHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F14Si/c17-13(18,19)7-3-1-4-8(14(20,21)22)11(7)31(29,30)12-9(15(23,24)25)5-2-6-10(12)16(26,27)28/h1-6H.
What are the key properties of bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane?
bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane has a molecular weight of 492.28 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane is sourced from PubChem (CID 12073570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).