[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane

C22H20F4O2Si — CID 91717570

IUPAC[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane
SMILESCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20F4O2Si/c1-2-16-27-29(17-10-5-3-6-11-17,18-12-7-4-8-13-18)28-20-15-9-14-19(21(20)23)22(24,25)26/h3-15H,2,16H2,1H3
InChIKeyRTWBHZWZPYUCHZ-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.91
Rot. Bonds7

About [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane

[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane (PubChem CID 91717570) has the molecular formula C22H20F4O2Si and a molecular weight of 420.48 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane
PubChem CID91717570
Molecular FormulaC22H20F4O2Si
Molecular Weight420.48 g/mol
Exact Mass420.12
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane
SMILESCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20F4O2Si/c1-2-16-27-29(17-10-5-3-6-11-17,18-12-7-4-8-13-18)28-20-15-9-14-19(21(20)23)22(24,25)26/h3-15H,2,16H2,1H3
InChIKeyRTWBHZWZPYUCHZ-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane (CID 91717570) is [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane is CCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane?
The InChIKey is RTWBHZWZPYUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4O2Si/c1-2-16-27-29(17-10-5-3-6-11-17,18-12-7-4-8-13-18)28-20-15-9-14-19(21(20)23)22(24,25)26/h3-15H,2,16H2,1H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane?
[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane has a molecular weight of 420.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)phenoxy]-diphenyl-propoxysilane is sourced from PubChem (CID 91717570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).