trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane

C13H11F3O3Si — CID 90174149

IUPACtrihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
SMILESO[Si](O)(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H11F3O3Si/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(7-5-9)20(17,18)19/h1-8,17-19H
InChIKeyJVXBYLALBOJSSF-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.50
Rot. Bonds2

About trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane

trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane (PubChem CID 90174149) has the molecular formula C13H11F3O3Si and a molecular weight of 300.31 g/mol. Its IUPAC name is trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane.

Molecular Properties

Compound Nametrihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
PubChem CID90174149
Molecular FormulaC13H11F3O3Si
Molecular Weight300.31 g/mol
Exact Mass300.04
IUPAC Nametrihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
SMILESO[Si](O)(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H11F3O3Si/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(7-5-9)20(17,18)19/h1-8,17-19H
InChIKeyJVXBYLALBOJSSF-UHFFFAOYSA-N
XLogP1.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
trihydroxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172329
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90173483
CID 131866586
CID 131866586
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
4-[3-[3-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 10496132
sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate
CID 46741398
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
The IUPAC name of trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane (CID 90174149) is trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane.
What is the SMILES notation for trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
The canonical SMILES for trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane is O[Si](O)(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
The InChIKey is JVXBYLALBOJSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O3Si/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(7-5-9)20(17,18)19/h1-8,17-19H.
What are the key properties of trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane has a molecular weight of 300.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane is sourced from PubChem (CID 90174149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).