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

C27H30F4O2Si — CID 91732649

IUPAC[2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30F4O2Si/c1-2-3-4-5-6-13-21-32-34(22-15-9-7-10-16-22,23-17-11-8-12-18-23)33-25-20-14-19-24(26(25)28)27(29,30)31/h7-12,14-20H,2-6,13,21H2,1H3
InChIKeyCLDGFKWVRQIZSQ-UHFFFAOYSA-N
MW490.61 g/mol
LogP6.86
Rot. Bonds12

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

[2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane (PubChem CID 91732649) has the molecular formula C27H30F4O2Si and a molecular weight of 490.61 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane
PubChem CID91732649
Molecular FormulaC27H30F4O2Si
Molecular Weight490.61 g/mol
Exact Mass490.20
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30F4O2Si/c1-2-3-4-5-6-13-21-32-34(22-15-9-7-10-16-22,23-17-11-8-12-18-23)33-25-20-14-19-24(26(25)28)27(29,30)31/h7-12,14-20H,2-6,13,21H2,1H3
InChIKeyCLDGFKWVRQIZSQ-UHFFFAOYSA-N
XLogP6.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 56.86
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'}

Analyze [2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane (CID 91732649) is [2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane is CCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane?
The InChIKey is CLDGFKWVRQIZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F4O2Si/c1-2-3-4-5-6-13-21-32-34(22-15-9-7-10-16-22,23-17-11-8-12-18-23)33-25-20-14-19-24(26(25)28)27(29,30)31/h7-12,14-20H,2-6,13,21H2,1H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane?
[2-fluoro-3-(trifluoromethyl)phenoxy]-octoxy-diphenylsilane has a molecular weight of 490.61 g/mol, XLogP of 6.86, 12 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]-octoxy-diphenylsilane is sourced from PubChem (CID 91732649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).