(2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane

C16H24F2OSi — CID 166519402

IUPAC(2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane
SMILESC=CC(F)(F)C(O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C16H24F2OSi/c1-5-16(17,18)15(14-12-10-9-11-13-14)19-20(6-2,7-3)8-4/h5,9-13,15H,1,6-8H2,2-4H3
InChIKeyNCPVAGRHTRAJNX-UHFFFAOYSA-N
MW298.45 g/mol
LogP5.57
Rot. Bonds8

About (2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane

(2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane (PubChem CID 166519402) has the molecular formula C16H24F2OSi and a molecular weight of 298.45 g/mol. Its IUPAC name is (2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane.

Molecular Properties

Compound Name(2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane
PubChem CID166519402
Molecular FormulaC16H24F2OSi
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Name(2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane
SMILESC=CC(F)(F)C(O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C16H24F2OSi/c1-5-16(17,18)15(14-12-10-9-11-13-14)19-20(6-2,7-3)8-4/h5,9-13,15H,1,6-8H2,2-4H3
InChIKeyNCPVAGRHTRAJNX-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyloxytrimethylsilane
CID 518982
Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
Tert-butyl[(4-iodophenyl)methoxy]dimethylsilane
CID 10020633
1,1-Dimethyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 13085174
2-[4-[Diethyl(methyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168271253
1,1,1,3,3,3-Hexafluoro-2-(4-triethylsilylphenyl)propan-2-ol
CID 168272454
2-[4-[Dimethyl(prop-2-enyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282113
2-[4-[Tert-butyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282164
1,1,1,3,3,3-Hexafluoro-2-(4-tripropylsilylphenyl)propan-2-ol
CID 168293391
Silane, trimethyl(2-phenylethoxy)-
CID 518978
(1R)-1-(3-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 164610426
2-[4-[Butyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168269668

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane?
The IUPAC name of (2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane (CID 166519402) is (2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane.
What is the SMILES notation for (2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane?
The canonical SMILES for (2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane is C=CC(F)(F)C(O[Si](CC)(CC)CC)c1ccccc1.
What is the InChIKey of (2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane?
The InChIKey is NCPVAGRHTRAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2OSi/c1-5-16(17,18)15(14-12-10-9-11-13-14)19-20(6-2,7-3)8-4/h5,9-13,15H,1,6-8H2,2-4H3.
What are the key properties of (2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane?
(2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane has a molecular weight of 298.45 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-phenylbut-3-enoxy)-triethylsilane is sourced from PubChem (CID 166519402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).