2-fluoroethoxy-diphenyl-tridecoxysilane

C27H41FO2Si — CID 91717514

IUPAC2-fluoroethoxy-diphenyl-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41FO2Si/c1-2-3-4-5-6-7-8-9-10-11-18-24-29-31(30-25-23-28,26-19-14-12-15-20-26)27-21-16-13-17-22-27/h12-17,19-22H,2-11,18,23-25H2,1H3
InChIKeyTVLHLPZEUKTVKF-UHFFFAOYSA-N
MW444.71 g/mol
LogP6.56
Rot. Bonds18

About 2-fluoroethoxy-diphenyl-tridecoxysilane

2-fluoroethoxy-diphenyl-tridecoxysilane (PubChem CID 91717514) has the molecular formula C27H41FO2Si and a molecular weight of 444.71 g/mol. Its IUPAC name is 2-fluoroethoxy-diphenyl-tridecoxysilane.

Molecular Properties

Compound Name2-fluoroethoxy-diphenyl-tridecoxysilane
PubChem CID91717514
Molecular FormulaC27H41FO2Si
Molecular Weight444.71 g/mol
Exact Mass444.29
IUPAC Name2-fluoroethoxy-diphenyl-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41FO2Si/c1-2-3-4-5-6-7-8-9-10-11-18-24-29-31(30-25-23-28,26-19-14-12-15-20-26)27-21-16-13-17-22-27/h12-17,19-22H,2-11,18,23-25H2,1H3
InChIKeyTVLHLPZEUKTVKF-UHFFFAOYSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.71
LogP ≤ 56.56
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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Related Compounds

Diphenyldiethoxysilane
CID 75705
Diphenyl-dipropoxy-silane
CID 14324871
Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
Dibutoxy(diphenyl)silane
CID 13637536
1-Dimethyl(phenyl)silyloxy-10-undecene
CID 586346
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
tert-butyl-[(2R)-hept-6-en-2-yl]oxy-diphenylsilane
CID 44178593
1-Phenyl-3-dimethyl(pentafluorophenyl)silyloxypropane
CID 576398
Silane, diphenylheptyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699488
Silane, diphenylundecyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699830

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethoxy-diphenyl-tridecoxysilane?
The IUPAC name of 2-fluoroethoxy-diphenyl-tridecoxysilane (CID 91717514) is 2-fluoroethoxy-diphenyl-tridecoxysilane.
What is the SMILES notation for 2-fluoroethoxy-diphenyl-tridecoxysilane?
The canonical SMILES for 2-fluoroethoxy-diphenyl-tridecoxysilane is CCCCCCCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoroethoxy-diphenyl-tridecoxysilane?
The InChIKey is TVLHLPZEUKTVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41FO2Si/c1-2-3-4-5-6-7-8-9-10-11-18-24-29-31(30-25-23-28,26-19-14-12-15-20-26)27-21-16-13-17-22-27/h12-17,19-22H,2-11,18,23-25H2,1H3.
What are the key properties of 2-fluoroethoxy-diphenyl-tridecoxysilane?
2-fluoroethoxy-diphenyl-tridecoxysilane has a molecular weight of 444.71 g/mol, XLogP of 6.56, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethoxy-diphenyl-tridecoxysilane is sourced from PubChem (CID 91717514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).