2-fluoroethoxy-heptadecoxy-diphenylsilane

C31H49FO2Si — CID 91717519

IUPAC2-fluoroethoxy-heptadecoxy-diphenylsilane
SMILESCCCCCCCCCCCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H49FO2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-33-35(34-29-27-32,30-23-18-16-19-24-30)31-25-20-17-21-26-31/h16-21,23-26H,2-15,22,27-29H2,1H3
InChIKeyBQEVONIRARBUFS-UHFFFAOYSA-N
MW500.82 g/mol
LogP8.12
Rot. Bonds22

About 2-fluoroethoxy-heptadecoxy-diphenylsilane

2-fluoroethoxy-heptadecoxy-diphenylsilane (PubChem CID 91717519) has the molecular formula C31H49FO2Si and a molecular weight of 500.82 g/mol. Its IUPAC name is 2-fluoroethoxy-heptadecoxy-diphenylsilane.

Molecular Properties

Compound Name2-fluoroethoxy-heptadecoxy-diphenylsilane
PubChem CID91717519
Molecular FormulaC31H49FO2Si
Molecular Weight500.82 g/mol
Exact Mass500.35
IUPAC Name2-fluoroethoxy-heptadecoxy-diphenylsilane
SMILESCCCCCCCCCCCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H49FO2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-33-35(34-29-27-32,30-23-18-16-19-24-30)31-25-20-17-21-26-31/h16-21,23-26H,2-15,22,27-29H2,1H3
InChIKeyBQEVONIRARBUFS-UHFFFAOYSA-N
XLogP8.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.82
LogP ≤ 58.12
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethoxy-heptadecoxy-diphenylsilane?
The IUPAC name of 2-fluoroethoxy-heptadecoxy-diphenylsilane (CID 91717519) is 2-fluoroethoxy-heptadecoxy-diphenylsilane.
What is the SMILES notation for 2-fluoroethoxy-heptadecoxy-diphenylsilane?
The canonical SMILES for 2-fluoroethoxy-heptadecoxy-diphenylsilane is CCCCCCCCCCCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoroethoxy-heptadecoxy-diphenylsilane?
The InChIKey is BQEVONIRARBUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49FO2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-33-35(34-29-27-32,30-23-18-16-19-24-30)31-25-20-17-21-26-31/h16-21,23-26H,2-15,22,27-29H2,1H3.
What are the key properties of 2-fluoroethoxy-heptadecoxy-diphenylsilane?
2-fluoroethoxy-heptadecoxy-diphenylsilane has a molecular weight of 500.82 g/mol, XLogP of 8.12, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethoxy-heptadecoxy-diphenylsilane is sourced from PubChem (CID 91717519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).