2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile

C15H21BrFNO2Si — CID 168990714

IUPAC2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile
SMILESCC(C)(C)[Si](C)(C)OCCOc1ccc(C#N)c(Br)c1F
InChIInChI=1S/C15H21BrFNO2Si/c1-15(2,3)21(4,5)20-9-8-19-12-7-6-11(10-18)13(16)14(12)17/h6-7H,8-9H2,1-5H3
InChIKeyZUWTUVKNYBGDCI-UHFFFAOYSA-N
MW374.33 g/mol
LogP4.86
Rot. Bonds5

About 2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile

2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile (PubChem CID 168990714) has the molecular formula C15H21BrFNO2Si and a molecular weight of 374.33 g/mol. Its IUPAC name is 2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile
PubChem CID168990714
Molecular FormulaC15H21BrFNO2Si
Molecular Weight374.33 g/mol
Exact Mass373.05
IUPAC Name2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile
SMILESCC(C)(C)[Si](C)(C)OCCOc1ccc(C#N)c(Br)c1F
InChIInChI=1S/C15H21BrFNO2Si/c1-15(2,3)21(4,5)20-9-8-19-12-7-6-11(10-18)13(16)14(12)17/h6-7H,8-9H2,1-5H3
InChIKeyZUWTUVKNYBGDCI-UHFFFAOYSA-N
XLogP4.86
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile
CID 107534437
2-bromo-3-fluoro-4-(2-propoxyethoxy)benzonitrile
CID 107534385
2-bromo-4-(2-cyclopropylethoxy)-3-fluorobenzonitrile
CID 106201470
2-bromo-3-fluoro-4-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 107534458
2-bromo-4-(2,2-difluoroethoxy)-3-fluorobenzonitrile
CID 107534426
2-bromo-3-fluoro-4-[(2R)-2-hydroxypropoxy]benzonitrile
CID 156855931
4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-1-benzothiophene-7-carbonitrile
CID 150527966
2,3-difluoro-4-(2-methoxyethoxy)benzonitrile
CID 167407689
tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
CID 141341558
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-formylbenzonitrile
CID 166136317
2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
CID 58242265
4-[(1-aminocycloheptyl)methoxy]-2-bromo-3-fluorobenzonitrile
CID 107539832

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile?
The IUPAC name of 2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile (CID 168990714) is 2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile?
The canonical SMILES for 2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile is CC(C)(C)[Si](C)(C)OCCOc1ccc(C#N)c(Br)c1F.
What is the InChIKey of 2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile?
The InChIKey is ZUWTUVKNYBGDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO2Si/c1-15(2,3)21(4,5)20-9-8-19-12-7-6-11(10-18)13(16)14(12)17/h6-7H,8-9H2,1-5H3.
What are the key properties of 2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile?
2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile has a molecular weight of 374.33 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 168990714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).