[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane

C23H27F5OSi — CID 162415576

IUPAC[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc(/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1)(C(C)C)C(C)C
InChIInChI=1S/C23H27F5OSi/c1-13(2)30(14(3)4,15(5)6)29-17-10-7-16(8-11-17)9-12-18-19(24)21(26)23(28)22(27)20(18)25/h7-15H,1-6H3/b12-9+
InChIKeyYLQHAGRXODDXHP-FMIVXFBMSA-N
MW442.54 g/mol
LogP8.11
Rot. Bonds7

About [4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane

[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane (PubChem CID 162415576) has the molecular formula C23H27F5OSi and a molecular weight of 442.54 g/mol. Its IUPAC name is [4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
PubChem CID162415576
Molecular FormulaC23H27F5OSi
Molecular Weight442.54 g/mol
Exact Mass442.18
IUPAC Name[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc(/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1)(C(C)C)C(C)C
InChIInChI=1S/C23H27F5OSi/c1-13(2)30(14(3)4,15(5)6)29-17-10-7-16(8-11-17)9-12-18-19(24)21(26)23(28)22(27)20(18)25/h7-15H,1-6H3/b12-9+
InChIKeyYLQHAGRXODDXHP-FMIVXFBMSA-N
XLogP8.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane (CID 162415576) is [4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane is CC(C)[Si](Oc1ccc(/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1)(C(C)C)C(C)C.
What is the InChIKey of [4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane?
The InChIKey is YLQHAGRXODDXHP-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H27F5OSi/c1-13(2)30(14(3)4,15(5)6)29-17-10-7-16(8-11-17)9-12-18-19(24)21(26)23(28)22(27)20(18)25/h7-15H,1-6H3/b12-9+.
What are the key properties of [4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane?
[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane has a molecular weight of 442.54 g/mol, XLogP of 8.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 162415576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).