tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane

C13H19ClF2OSi — CID 165147312

IUPACtert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1c(Cl)ccc(F)c1F
InChIInChI=1S/C13H19ClF2OSi/c1-13(2,3)18(4,5)17-8-9-10(14)6-7-11(15)12(9)16/h6-7H,8H2,1-5H3
InChIKeyWNUBWCLPKIJPRF-UHFFFAOYSA-N
MW292.83 g/mol
LogP5.14
Rot. Bonds3

About tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane

tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane (PubChem CID 165147312) has the molecular formula C13H19ClF2OSi and a molecular weight of 292.83 g/mol. Its IUPAC name is tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane
PubChem CID165147312
Molecular FormulaC13H19ClF2OSi
Molecular Weight292.83 g/mol
Exact Mass292.09
IUPAC Nametert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1c(Cl)ccc(F)c1F
InChIInChI=1S/C13H19ClF2OSi/c1-13(2,3)18(4,5)17-8-9-10(14)6-7-11(15)12(9)16/h6-7H,8H2,1-5H3
InChIKeyWNUBWCLPKIJPRF-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.83
LogP ≤ 55.14
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'}

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Related Compounds

Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
2-Chloro-6-fluorobenzyl alcohol, n-butyl ether
CID 91718296
2-Fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91728155
alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440
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
Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
2-Chloro-6-fluorobenzyl alcohol, n-pentyl ether
CID 91718289
2-Chloro-6-fluorobenzyl alcohol, n-propyl ether
CID 91718295
2-Chloro-6-fluorobenzyl alcohol, 2-methylbutyl ether
CID 91718297

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane (CID 165147312) is tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1c(Cl)ccc(F)c1F.
What is the InChIKey of tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane?
The InChIKey is WNUBWCLPKIJPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF2OSi/c1-13(2,3)18(4,5)17-8-9-10(14)6-7-11(15)12(9)16/h6-7H,8H2,1-5H3.
What are the key properties of tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane?
tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane has a molecular weight of 292.83 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6-chloro-2,3-difluorophenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 165147312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).