9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane

C24H39F5O3Si — CID 90174966

IUPAC9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane
SMILESCCCO[Si](CCCCCCCCCc1c(F)c(F)c(F)c(F)c1F)(OCCC)OCCC
InChIInChI=1S/C24H39F5O3Si/c1-4-15-30-33(31-16-5-2,32-17-6-3)18-13-11-9-7-8-10-12-14-19-20(25)22(27)24(29)23(28)21(19)26/h4-18H2,1-3H3
InChIKeyHZBBMEUANGMING-UHFFFAOYSA-N
MW498.65 g/mol
LogP7.87
Rot. Bonds19

About 9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane

9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane (PubChem CID 90174966) has the molecular formula C24H39F5O3Si and a molecular weight of 498.65 g/mol. Its IUPAC name is 9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane.

Molecular Properties

Compound Name9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane
PubChem CID90174966
Molecular FormulaC24H39F5O3Si
Molecular Weight498.65 g/mol
Exact Mass498.26
IUPAC Name9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane
SMILESCCCO[Si](CCCCCCCCCc1c(F)c(F)c(F)c(F)c1F)(OCCC)OCCC
InChIInChI=1S/C24H39F5O3Si/c1-4-15-30-33(31-16-5-2,32-17-6-3)18-13-11-9-7-8-10-12-14-19-20(25)22(27)24(29)23(28)21(19)26/h4-18H2,1-3H3
InChIKeyHZBBMEUANGMING-UHFFFAOYSA-N
XLogP7.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
CID 90172549
hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291
dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane
CID 90173798
dimethoxy-methyl-[5-(2,3,4,5,6-pentafluorophenyl)pentyl]silane
CID 90172442
4-tripropoxysilylbutan-1-amine
CID 15986561
4-tripropoxysilylbutan-1-ol
CID 18780457
tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170924
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
3-tripropoxysilylpropan-1-ol
CID 19080799
1,2,3,4,5-pentafluoro-6-[11-(tripropoxymethyl)nonadecyl]benzene
CID 172758790

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane?
The IUPAC name of 9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane (CID 90174966) is 9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane.
What is the SMILES notation for 9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane?
The canonical SMILES for 9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane is CCCO[Si](CCCCCCCCCc1c(F)c(F)c(F)c(F)c1F)(OCCC)OCCC.
What is the InChIKey of 9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane?
The InChIKey is HZBBMEUANGMING-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39F5O3Si/c1-4-15-30-33(31-16-5-2,32-17-6-3)18-13-11-9-7-8-10-12-14-19-20(25)22(27)24(29)23(28)21(19)26/h4-18H2,1-3H3.
What are the key properties of 9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane?
9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane has a molecular weight of 498.65 g/mol, XLogP of 7.87, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,4,5,6-pentafluorophenyl)nonyl-tripropoxysilane is sourced from PubChem (CID 90174966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).