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

C25H26F4O2Si — CID 91732653

IUPAC[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane
SMILESCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F4O2Si/c1-2-3-4-11-19-30-32(20-13-7-5-8-14-20,21-15-9-6-10-16-21)31-23-18-12-17-22(24(23)26)25(27,28)29/h5-10,12-18H,2-4,11,19H2,1H3
InChIKeyYIKOWDUSRLETCO-UHFFFAOYSA-N
MW462.56 g/mol
LogP6.08
Rot. Bonds10

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

[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane (PubChem CID 91732653) has the molecular formula C25H26F4O2Si and a molecular weight of 462.56 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane
PubChem CID91732653
Molecular FormulaC25H26F4O2Si
Molecular Weight462.56 g/mol
Exact Mass462.16
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane
SMILESCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F4O2Si/c1-2-3-4-11-19-30-32(20-13-7-5-8-14-20,21-15-9-6-10-16-21)31-23-18-12-17-22(24(23)26)25(27,28)29/h5-10,12-18H,2-4,11,19H2,1H3
InChIKeyYIKOWDUSRLETCO-UHFFFAOYSA-N
XLogP6.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 56.08
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

decoxy-[2-fluoro-3-(trifluoromethyl)phenoxy]-diphenylsilane
CID 91732651
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane
CID 91733059
(3-ethylphenoxy)-diphenyl-tetradecoxysilane
CID 91745916
2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane
CID 91733049
(3-bromo-1,1,1-trifluoropropan-2-yl)oxy-diphenyl-undecoxysilane
CID 91699830
4-O-[2-fluoro-3-(trifluoromethyl)phenyl] 1-O-heptyl benzene-1,4-dicarboxylate
CID 91738377
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
1-O-[2-fluoro-3-(trifluoromethyl)phenyl] 3-O-nonyl 2,2-diethylpropanedioate
CID 91705355

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane (CID 91732653) is [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane is CCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane?
The InChIKey is YIKOWDUSRLETCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4O2Si/c1-2-3-4-11-19-30-32(20-13-7-5-8-14-20,21-15-9-6-10-16-21)31-23-18-12-17-22(24(23)26)25(27,28)29/h5-10,12-18H,2-4,11,19H2,1H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane?
[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane has a molecular weight of 462.56 g/mol, XLogP of 6.08, 10 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]-hexoxy-diphenylsilane is sourced from PubChem (CID 91732653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).