tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane

C26H28ClFOSi — CID 59256021

IUPACtert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane
SMILESC=C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C26H28ClFOSi/c1-20(21-15-16-25(28)24(27)19-21)17-18-29-30(26(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,19H,1,17-18H2,2-4H3
InChIKeyRXQHDBORZTWADE-UHFFFAOYSA-N
MW439.05 g/mol
LogP6.46
Rot. Bonds7

About tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane

tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane (PubChem CID 59256021) has the molecular formula C26H28ClFOSi and a molecular weight of 439.05 g/mol. Its IUPAC name is tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane
PubChem CID59256021
Molecular FormulaC26H28ClFOSi
Molecular Weight439.05 g/mol
Exact Mass438.16
IUPAC Nametert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane
SMILESC=C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C26H28ClFOSi/c1-20(21-15-16-25(28)24(27)19-21)17-18-29-30(26(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,19H,1,17-18H2,2-4H3
InChIKeyRXQHDBORZTWADE-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.05
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-(4-Chlorophenyl)ethanol, dimethylpentafluorophenylsilyl ether
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[(4-Chlorophenyl)-(3-fluorophenyl)methoxy]-dimethyl-phenylsilane
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Tert-butyl-(4-chloro-4-phenylbutoxy)-diphenylsilane
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Tert-butyl-[3-[4-chloro-3-(trifluoromethyl)phenyl]but-3-enoxy]-diphenylsilane
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Tert-butyl (2-(4-chloro-3-fluorophenyl)allyloxy)dimethylsilane
CID 86696739
2-Chloro-1-fluoro-4-[4-(3-methoxypropyl)phenyl]benzene
CID 90707845
Tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane
CID 141266258
Tert-butyl-[2-(3-chloro-2,6-difluorophenyl)ethoxy]-dimethylsilane
CID 150333301
Tert-butyl-[2-[(4-chlorophenyl)methyl]-3,3-difluoropropoxy]-diphenylsilane
CID 153616192
Tert-butyl-[4-(4-chloro-3-fluorophenyl)butan-2-yloxy]-dimethylsilane
CID 153966548

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane (CID 59256021) is tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane is C=C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(F)c(Cl)c1.
What is the InChIKey of tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane?
The InChIKey is RXQHDBORZTWADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFOSi/c1-20(21-15-16-25(28)24(27)19-21)17-18-29-30(26(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,19H,1,17-18H2,2-4H3.
What are the key properties of tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane?
tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane has a molecular weight of 439.05 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(3-chloro-4-fluorophenyl)but-3-enoxy]-diphenylsilane is sourced from PubChem (CID 59256021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).