1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane

C15H23BrF2OSi — CID 59295861

IUPAC1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane
SMILESCCC(O[Si](C)(C)C(C)(C)C)c1cc(Br)c(F)cc1F
InChIInChI=1S/C15H23BrF2OSi/c1-7-14(19-20(5,6)15(2,3)4)10-8-11(16)13(18)9-12(10)17/h8-9,14H,7H2,1-6H3
InChIKeyNQLUNLKNAKVPAD-UHFFFAOYSA-N
MW365.33 g/mol
LogP6.20
Rot. Bonds4

About 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane

1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane (PubChem CID 59295861) has the molecular formula C15H23BrF2OSi and a molecular weight of 365.33 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane
PubChem CID59295861
Molecular FormulaC15H23BrF2OSi
Molecular Weight365.33 g/mol
Exact Mass364.07
IUPAC Name1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane
SMILESCCC(O[Si](C)(C)C(C)(C)C)c1cc(Br)c(F)cc1F
InChIInChI=1S/C15H23BrF2OSi/c1-7-14(19-20(5,6)15(2,3)4)10-8-11(16)13(18)9-12(10)17/h8-9,14H,7H2,1-6H3
InChIKeyNQLUNLKNAKVPAD-UHFFFAOYSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.33
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane 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

(4-Bromobenzyloxy)trimethylsilane
CID 598201
[3-(3-Bromophenyl)propoxy](tert-butyl)dimethylsilane
CID 20346533
(1S)-1-(3-Bromo-4-fluorophenyl)ethan-1-ol
CID 25324469
(1R)-1-(3-Bromo-4-fluorophenyl)ethan-1-ol
CID 25324470
(1R)-1-(3-bromo-5-fluorophenyl)ethan-1-ol
CID 79036939
(4-Bromo-2,3,5,6-tetrafluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 101844102
1,1,1-Trifluoro-2-(4-bromophenyl)-2-(trimethylsiloxy)ethane
CID 11427386
(3-Bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 20785462
((4-Bromo-3-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 57899966
[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
CID 71211635
[1-(4-Bromophenyl)-2,2-difluoroethenoxy]-trimethylsilane
CID 85820163
(4-Bromophenyl)methoxy-triethylsilane
CID 10756691

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane (CID 59295861) is 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane is CCC(O[Si](C)(C)C(C)(C)C)c1cc(Br)c(F)cc1F.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane?
The InChIKey is NQLUNLKNAKVPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrF2OSi/c1-7-14(19-20(5,6)15(2,3)4)10-8-11(16)13(18)9-12(10)17/h8-9,14H,7H2,1-6H3.
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane?
1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane has a molecular weight of 365.33 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 59295861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).