2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane

C25H32F6O2Si — CID 91733049

IUPAC2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32F6O2Si/c1-2-3-4-5-6-7-14-19-32-34(21-15-10-8-11-16-21,22-17-12-9-13-18-22)33-20-24(27,28)23(26)25(29,30)31/h8-13,15-18,23H,2-7,14,19-20H2,1H3
InChIKeyIPHDTVGNCWTHGC-UHFFFAOYSA-N
MW506.60 g/mol
LogP6.56
Rot. Bonds15

About 2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane

2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane (PubChem CID 91733049) has the molecular formula C25H32F6O2Si and a molecular weight of 506.60 g/mol. Its IUPAC name is 2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane.

Molecular Properties

Compound Name2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane
PubChem CID91733049
Molecular FormulaC25H32F6O2Si
Molecular Weight506.60 g/mol
Exact Mass506.21
IUPAC Name2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane
SMILESCCCCCCCCCO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32F6O2Si/c1-2-3-4-5-6-7-14-19-32-34(21-15-10-8-11-16-21,22-17-12-9-13-18-22)33-20-24(27,28)23(26)25(29,30)31/h8-13,15-18,23H,2-7,14,19-20H2,1H3
InChIKeyIPHDTVGNCWTHGC-UHFFFAOYSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 56.56
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

hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane
CID 91733059
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
(3-bromo-1,1,1-trifluoropropan-2-yl)oxy-diphenyl-undecoxysilane
CID 91699830
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane
CID 91743177
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane?
The IUPAC name of 2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane (CID 91733049) is 2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane.
What is the SMILES notation for 2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane?
The canonical SMILES for 2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane is CCCCCCCCCO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane?
The InChIKey is IPHDTVGNCWTHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F6O2Si/c1-2-3-4-5-6-7-14-19-32-34(21-15-10-8-11-16-21,22-17-12-9-13-18-22)33-20-24(27,28)23(26)25(29,30)31/h8-13,15-18,23H,2-7,14,19-20H2,1H3.
What are the key properties of 2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane?
2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane has a molecular weight of 506.60 g/mol, XLogP of 6.56, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane is sourced from PubChem (CID 91733049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).