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

C28H32F4O2Si — CID 91732650

IUPAC[2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32F4O2Si/c1-2-3-4-5-6-7-14-22-33-35(23-16-10-8-11-17-23,24-18-12-9-13-19-24)34-26-21-15-20-25(27(26)29)28(30,31)32/h8-13,15-21H,2-7,14,22H2,1H3
InChIKeyDDGLDFXNVBWLMQ-UHFFFAOYSA-N
MW504.64 g/mol
LogP7.25
Rot. Bonds13

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

[2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane (PubChem CID 91732650) has the molecular formula C28H32F4O2Si and a molecular weight of 504.64 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane
PubChem CID91732650
Molecular FormulaC28H32F4O2Si
Molecular Weight504.64 g/mol
Exact Mass504.21
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32F4O2Si/c1-2-3-4-5-6-7-14-22-33-35(23-16-10-8-11-17-23,24-18-12-9-13-19-24)34-26-21-15-20-25(27(26)29)28(30,31)32/h8-13,15-21H,2-7,14,22H2,1H3
InChIKeyDDGLDFXNVBWLMQ-UHFFFAOYSA-N
XLogP7.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 57.25
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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Related Compounds

Phosphoric acid (3-methylphenyl) phenyl (2,2,2-trifluoro-1-phenylethyl) ester
CID 3772905
Di-m-tolyl (2,2,2-trifluoro-1-phenylethyl) phosphate
CID 3288173
(((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(oxy))bis(tert-butyldimethylsilane)
CID 126970744
2-Propylphenol, dimethylpentafluorophenylsilyl ether
CID 91697505
2-Fluoro-3-(trifluoromethyl)phenol, tert-butyldimethylsilyl ether
CID 91716948
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)isobutoxy-
CID 91717505
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)propoxy-
CID 91717570
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)heptyloxy-
CID 91732648
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)octyloxy-
CID 91732649
Silane, diphenyldecyloxy(2-fluoro-3-trifluoromethylphenoxy)-
CID 91732651
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)tetradecyloxy-
CID 91732652
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)hexyloxy-
CID 91732653

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane (CID 91732650) is [2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane is CCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane?
The InChIKey is DDGLDFXNVBWLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F4O2Si/c1-2-3-4-5-6-7-14-22-33-35(23-16-10-8-11-17-23,24-18-12-9-13-19-24)34-26-21-15-20-25(27(26)29)28(30,31)32/h8-13,15-21H,2-7,14,22H2,1H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane?
[2-fluoro-3-(trifluoromethyl)phenoxy]-nonoxy-diphenylsilane has a molecular weight of 504.64 g/mol, XLogP of 7.25, 13 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]-nonoxy-diphenylsilane is sourced from PubChem (CID 91732650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).