tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane

C13H18ClF2IOSi — CID 59784035

IUPACtert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(I)c(F)c(Cl)c1F
InChIInChI=1S/C13H18ClF2IOSi/c1-13(2,3)19(4,5)18-7-8-6-9(17)12(16)10(14)11(8)15/h6H,7H2,1-5H3
InChIKeyQCJWKJPLJXGRSP-UHFFFAOYSA-N
MW418.73 g/mol
LogP5.74
Rot. Bonds3

About tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane

tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane (PubChem CID 59784035) has the molecular formula C13H18ClF2IOSi and a molecular weight of 418.73 g/mol. Its IUPAC name is tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane
PubChem CID59784035
Molecular FormulaC13H18ClF2IOSi
Molecular Weight418.73 g/mol
Exact Mass417.98
IUPAC Nametert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(I)c(F)c(Cl)c1F
InChIInChI=1S/C13H18ClF2IOSi/c1-13(2,3)19(4,5)18-7-8-6-9(17)12(16)10(14)11(8)15/h6H,7H2,1-5H3
InChIKeyQCJWKJPLJXGRSP-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.73
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane
CID 154720097
Triethyl(4-chlorobenzyloxy)silane
CID 580827
1-Chloro-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 11299849
(2,5-Dichlorophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91723516
2-Chloro-6-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735267
2-Chloro-6-fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91733153
[(4-Chlorophenyl)-trimethylsilylmethoxy]-trimethylsilane
CID 15209025
1-Chloro-4-dimethyl(pentafluorophenyl)silyloxymethylbenzene
CID 580484
2-Chloro-6-fluorobenzyl alcohol, TMS derivative
CID 91735265
2,4,5-Trifluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91735408
3,4,5-Trifluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91735449
1-(2-Chloro-6-fluorophenyl)ethyl (t-butyldimethylsilyl)ether
CID 53883754

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane (CID 59784035) is tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cc(I)c(F)c(Cl)c1F.
What is the InChIKey of tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane?
The InChIKey is QCJWKJPLJXGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2IOSi/c1-13(2,3)19(4,5)18-7-8-6-9(17)12(16)10(14)11(8)15/h6H,7H2,1-5H3.
What are the key properties of tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane?
tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane has a molecular weight of 418.73 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-chloro-2,4-difluoro-5-iodophenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 59784035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).