tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane

C18H16F6OSi — CID 153323676

IUPACtris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane
SMILESO[Si](C1=CC=CC(F)(F)C1)(C1=CC=CC(F)(F)C1)C1=CC=CC(F)(F)C1
InChIInChI=1S/C18H16F6OSi/c19-16(20)7-1-4-13(10-16)26(25,14-5-2-8-17(21,22)11-14)15-6-3-9-18(23,24)12-15/h1-9,25H,10-12H2
InChIKeyYHXCIRIYUPFNEO-UHFFFAOYSA-N
MW390.40 g/mol
LogP5.11
Rot. Bonds3

About tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane

tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane (PubChem CID 153323676) has the molecular formula C18H16F6OSi and a molecular weight of 390.40 g/mol. Its IUPAC name is tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane.

Molecular Properties

Compound Nametris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane
PubChem CID153323676
Molecular FormulaC18H16F6OSi
Molecular Weight390.40 g/mol
Exact Mass390.09
IUPAC Nametris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane
SMILESO[Si](C1=CC=CC(F)(F)C1)(C1=CC=CC(F)(F)C1)C1=CC=CC(F)(F)C1
InChIInChI=1S/C18H16F6OSi/c19-16(20)7-1-4-13(10-16)26(25,14-5-2-8-17(21,22)11-14)15-6-3-9-18(23,24)12-15/h1-9,25H,10-12H2
InChIKeyYHXCIRIYUPFNEO-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane 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 tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane?
The IUPAC name of tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane (CID 153323676) is tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane.
What is the SMILES notation for tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane?
The canonical SMILES for tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane is O[Si](C1=CC=CC(F)(F)C1)(C1=CC=CC(F)(F)C1)C1=CC=CC(F)(F)C1.
What is the InChIKey of tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane?
The InChIKey is YHXCIRIYUPFNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6OSi/c19-16(20)7-1-4-13(10-16)26(25,14-5-2-8-17(21,22)11-14)15-6-3-9-18(23,24)12-15/h1-9,25H,10-12H2.
What are the key properties of tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane?
tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane has a molecular weight of 390.40 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5,5-difluorocyclohexa-1,3-dien-1-yl)-hydroxysilane is sourced from PubChem (CID 153323676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).