[1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane

C16H23ClF2OSi — CID 166519406

IUPAC[1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane
SMILESC=CC(F)(F)C(O[Si](CC)(CC)CC)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClF2OSi/c1-5-16(18,19)15(13-9-11-14(17)12-10-13)20-21(6-2,7-3)8-4/h5,9-12,15H,1,6-8H2,2-4H3
InChIKeyCWFPLGSYFVMABJ-UHFFFAOYSA-N
MW332.89 g/mol
LogP6.22
Rot. Bonds8

About [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane

[1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane (PubChem CID 166519406) has the molecular formula C16H23ClF2OSi and a molecular weight of 332.89 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane
PubChem CID166519406
Molecular FormulaC16H23ClF2OSi
Molecular Weight332.89 g/mol
Exact Mass332.12
IUPAC Name[1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane
SMILESC=CC(F)(F)C(O[Si](CC)(CC)CC)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClF2OSi/c1-5-16(18,19)15(13-9-11-14(17)12-10-13)20-21(6-2,7-3)8-4/h5,9-12,15H,1,6-8H2,2-4H3
InChIKeyCWFPLGSYFVMABJ-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.89
LogP ≤ 56.22
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'}

Analyze [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Chlorophenyl)-3,3,3-trifluoropropan-1-ol
CID 61100888
2,2,2-Trifluoro-1-phenylethyl trimethylsilyl ether
CID 11218868
1-(4-Chlorophenyl)-2,2-difluorobut-3-en-1-ol
CID 14168665
alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440
Benzenemethanol, 4-chloro-alpha-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)-3-fluoro-, 1-methanesulfonate, (alphaR)-
CID 71726881
1-(4-Chlorophenyl)-2,2-difluoropropan-1-ol
CID 131015789
(2,2-Difluoro-1-phenylbut-3-enoxy)-triethylsilane
CID 166519402
Triethyl(4-chlorobenzyloxy)silane
CID 580827
Trimethylsiloxy 4-chlorophenylacetonitrile
CID 10776410
1-Chloro-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 11299849
Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
2-Chloro-6-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735267

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane?
The IUPAC name of [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane (CID 166519406) is [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane.
What is the SMILES notation for [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane?
The canonical SMILES for [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane is C=CC(F)(F)C(O[Si](CC)(CC)CC)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane?
The InChIKey is CWFPLGSYFVMABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClF2OSi/c1-5-16(18,19)15(13-9-11-14(17)12-10-13)20-21(6-2,7-3)8-4/h5,9-12,15H,1,6-8H2,2-4H3.
What are the key properties of [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane?
[1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane has a molecular weight of 332.89 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane is sourced from PubChem (CID 166519406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).