(4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

C19H21F5OSi — CID 14601760

IUPAC(4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESCCOc1ccc([Si](C)(C)CCCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C19H21F5OSi/c1-4-25-12-7-9-13(10-8-12)26(2,3)11-5-6-14-15(20)17(22)19(24)18(23)16(14)21/h7-10H,4-6,11H2,1-3H3
InChIKeyIXGNGGPNRHNMJF-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.33
Rot. Bonds7

About (4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

(4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (PubChem CID 14601760) has the molecular formula C19H21F5OSi and a molecular weight of 388.45 g/mol. Its IUPAC name is (4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.

Molecular Properties

Compound Name(4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
PubChem CID14601760
Molecular FormulaC19H21F5OSi
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name(4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESCCOc1ccc([Si](C)(C)CCCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C19H21F5OSi/c1-4-25-12-7-9-13(10-8-12)26(2,3)11-5-6-14-15(20)17(22)19(24)18(23)16(14)21/h7-10H,4-6,11H2,1-3H3
InChIKeyIXGNGGPNRHNMJF-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.33
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'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The IUPAC name of (4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (CID 14601760) is (4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.
What is the SMILES notation for (4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The canonical SMILES for (4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is CCOc1ccc([Si](C)(C)CCCc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of (4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The InChIKey is IXGNGGPNRHNMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F5OSi/c1-4-25-12-7-9-13(10-8-12)26(2,3)11-5-6-14-15(20)17(22)19(24)18(23)16(14)21/h7-10H,4-6,11H2,1-3H3.
What are the key properties of (4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
(4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane has a molecular weight of 388.45 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is sourced from PubChem (CID 14601760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).