decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane

C29H34F4O2Si — CID 91732651

IUPACdecoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane
SMILESCCCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34F4O2Si/c1-2-3-4-5-6-7-8-15-23-34-36(24-17-11-9-12-18-24,25-19-13-10-14-20-25)35-27-22-16-21-26(28(27)30)29(31,32)33/h9-14,16-22H,2-8,15,23H2,1H3
InChIKeyBIGJEYPHOOZYCG-UHFFFAOYSA-N
MW518.67 g/mol
LogP7.64
Rot. Bonds14

About decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane

decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane (PubChem CID 91732651) has the molecular formula C29H34F4O2Si and a molecular weight of 518.67 g/mol. Its IUPAC name is decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane.

Molecular Properties

Compound Namedecoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane
PubChem CID91732651
Molecular FormulaC29H34F4O2Si
Molecular Weight518.67 g/mol
Exact Mass518.23
IUPAC Namedecoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane
SMILESCCCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34F4O2Si/c1-2-3-4-5-6-7-8-15-23-34-36(24-17-11-9-12-18-24,25-19-13-10-14-20-25)35-27-22-16-21-26(28(27)30)29(31,32)33/h9-14,16-22H,2-8,15,23H2,1H3
InChIKeyBIGJEYPHOOZYCG-UHFFFAOYSA-N
XLogP7.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.67
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane?
The IUPAC name of decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane (CID 91732651) is decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane.
What is the SMILES notation for decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane?
The canonical SMILES for decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane is CCCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane?
The InChIKey is BIGJEYPHOOZYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F4O2Si/c1-2-3-4-5-6-7-8-15-23-34-36(24-17-11-9-12-18-24,25-19-13-10-14-20-25)35-27-22-16-21-26(28(27)30)29(31,32)33/h9-14,16-22H,2-8,15,23H2,1H3.
What are the key properties of decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane?
decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane has a molecular weight of 518.67 g/mol, XLogP of 7.64, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane is sourced from PubChem (CID 91732651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).