tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane

C25H24ClFO2Si — CID 177129267

IUPACtert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCc1ccc(Cl)c2cc(F)oc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24ClFO2Si/c1-25(2,3)30(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-18-14-15-22(26)21-16-23(27)29-24(18)21/h4-16H,17H2,1-3H3
InChIKeyVISZDCKWXYNAIY-UHFFFAOYSA-N
MW439.00 g/mol
LogP6.30
Rot. Bonds5

About tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane

tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane (PubChem CID 177129267) has the molecular formula C25H24ClFO2Si and a molecular weight of 439.00 g/mol. Its IUPAC name is tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane
PubChem CID177129267
Molecular FormulaC25H24ClFO2Si
Molecular Weight439.00 g/mol
Exact Mass438.12
IUPAC Nametert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCc1ccc(Cl)c2cc(F)oc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24ClFO2Si/c1-25(2,3)30(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-18-14-15-22(26)21-16-23(27)29-24(18)21/h4-16H,17H2,1-3H3
InChIKeyVISZDCKWXYNAIY-UHFFFAOYSA-N
XLogP6.30
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-bromophenoxy)methyl]-4-chloro-2-fluoro-1-benzofuran
CID 170972975
4-[2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine
CID 170972816
(4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 58446364
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
CID 153278666
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
tert-butyl-[[2-chloro-5-[(2S,3R,4R,5R)-3,4,5-tris(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane
CID 67417361
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007
(3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-ol
CID 58242645
[2,4-bis(2-chlorophenyl)-1H-pyrrol-3-yl]methoxy-tert-butyl-diphenylsilane
CID 172860203

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane (CID 177129267) is tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane is CC(C)(C)[Si](OCc1ccc(Cl)c2cc(F)oc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane?
The InChIKey is VISZDCKWXYNAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFO2Si/c1-25(2,3)30(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-18-14-15-22(26)21-16-23(27)29-24(18)21/h4-16H,17H2,1-3H3.
What are the key properties of tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane?
tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane has a molecular weight of 439.00 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 177129267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).