triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane

C17H25FOSi — CID 86100588

IUPACtriethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane
SMILESCC[Si](CC)(CC)OC1=C(F)CCCc2ccccc21
InChIInChI=1S/C17H25FOSi/c1-4-20(5-2,6-3)19-17-15-12-8-7-10-14(15)11-9-13-16(17)18/h7-8,10,12H,4-6,9,11,13H2,1-3H3
InChIKeyTYCFMPKBLUKORQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP5.68
Rot. Bonds5

About triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane

triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane (PubChem CID 86100588) has the molecular formula C17H25FOSi and a molecular weight of 292.47 g/mol. Its IUPAC name is triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane.

Molecular Properties

Compound Nametriethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane
PubChem CID86100588
Molecular FormulaC17H25FOSi
Molecular Weight292.47 g/mol
Exact Mass292.17
IUPAC Nametriethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane
SMILESCC[Si](CC)(CC)OC1=C(F)CCCc2ccccc21
InChIInChI=1S/C17H25FOSi/c1-4-20(5-2,6-3)19-17-15-12-8-7-10-14(15)11-9-13-16(17)18/h7-8,10,12H,4-6,9,11,13H2,1-3H3
InChIKeyTYCFMPKBLUKORQ-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane?
The IUPAC name of triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane (CID 86100588) is triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane.
What is the SMILES notation for triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane?
The canonical SMILES for triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane is CC[Si](CC)(CC)OC1=C(F)CCCc2ccccc21.
What is the InChIKey of triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane?
The InChIKey is TYCFMPKBLUKORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FOSi/c1-4-20(5-2,6-3)19-17-15-12-8-7-10-14(15)11-9-13-16(17)18/h7-8,10,12H,4-6,9,11,13H2,1-3H3.
What are the key properties of triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane?
triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane has a molecular weight of 292.47 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(6-fluoro-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]silane is sourced from PubChem (CID 86100588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).