hydroxy-tris[2-(trifluoromethyl)phenyl]silane

C21H13F9OSi — CID 140903404

IUPAChydroxy-tris[2-(trifluoromethyl)phenyl]silane
SMILESO[Si](c1ccccc1C(F)(F)F)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H13F9OSi/c22-19(23,24)13-7-1-4-10-16(13)32(31,17-11-5-2-8-14(17)20(25,26)27)18-12-6-3-9-15(18)21(28,29)30/h1-12,31H
InChIKeyYHOKDDMMQPVKGO-UHFFFAOYSA-N
MW480.40 g/mol
LogP4.70
Rot. Bonds3

About hydroxy-tris[2-(trifluoromethyl)phenyl]silane

hydroxy-tris[2-(trifluoromethyl)phenyl]silane (PubChem CID 140903404) has the molecular formula C21H13F9OSi and a molecular weight of 480.40 g/mol. Its IUPAC name is hydroxy-tris[2-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namehydroxy-tris[2-(trifluoromethyl)phenyl]silane
PubChem CID140903404
Molecular FormulaC21H13F9OSi
Molecular Weight480.40 g/mol
Exact Mass480.06
IUPAC Namehydroxy-tris[2-(trifluoromethyl)phenyl]silane
SMILESO[Si](c1ccccc1C(F)(F)F)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H13F9OSi/c22-19(23,24)13-7-1-4-10-16(13)32(31,17-11-5-2-8-14(17)20(25,26)27)18-12-6-3-9-15(18)21(28,29)30/h1-12,31H
InChIKeyYHOKDDMMQPVKGO-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethyl)phenol
CID 162212145
ethane;2-(trifluoromethyl)phenol
CID 142291947
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 18352095
cyclopenta-1,3-diene;bis(2-(trifluoromethyl)phenol);zirconium
CID 154426888
CID 69226515
CID 69226515
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
phenyl-(4-phenylphenyl)-[2-(trifluoromethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]phenyl]silane
CID 176748698
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
1-chloro-2-(trifluoromethyl)benzene
CID 6921
bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane
CID 12073570
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232

Frequently Asked Questions

What is the IUPAC name of hydroxy-tris[2-(trifluoromethyl)phenyl]silane?
The IUPAC name of hydroxy-tris[2-(trifluoromethyl)phenyl]silane (CID 140903404) is hydroxy-tris[2-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for hydroxy-tris[2-(trifluoromethyl)phenyl]silane?
The canonical SMILES for hydroxy-tris[2-(trifluoromethyl)phenyl]silane is O[Si](c1ccccc1C(F)(F)F)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F.
What is the InChIKey of hydroxy-tris[2-(trifluoromethyl)phenyl]silane?
The InChIKey is YHOKDDMMQPVKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F9OSi/c22-19(23,24)13-7-1-4-10-16(13)32(31,17-11-5-2-8-14(17)20(25,26)27)18-12-6-3-9-15(18)21(28,29)30/h1-12,31H.
What are the key properties of hydroxy-tris[2-(trifluoromethyl)phenyl]silane?
hydroxy-tris[2-(trifluoromethyl)phenyl]silane has a molecular weight of 480.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-tris[2-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 140903404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).