2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile

C13H18FNOSi — CID 151134961

IUPAC2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile
SMILESC[Si](C)(C)CCOCc1cccc(C#N)c1F
InChIInChI=1S/C13H18FNOSi/c1-17(2,3)8-7-16-10-12-6-4-5-11(9-15)13(12)14/h4-6H,7-8,10H2,1-3H3
InChIKeyMVADRZBBYIHAIC-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.55
Rot. Bonds5

About 2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile

2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile (PubChem CID 151134961) has the molecular formula C13H18FNOSi and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile
PubChem CID151134961
Molecular FormulaC13H18FNOSi
Molecular Weight251.38 g/mol
Exact Mass251.11
IUPAC Name2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile
SMILESC[Si](C)(C)CCOCc1cccc(C#N)c1F
InChIInChI=1S/C13H18FNOSi/c1-17(2,3)8-7-16-10-12-6-4-5-11(9-15)13(12)14/h4-6H,7-8,10H2,1-3H3
InChIKeyMVADRZBBYIHAIC-UHFFFAOYSA-N
XLogP3.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(ethoxymethyl)-2-fluorobenzonitrile
CID 107115085
2-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]benzonitrile
CID 107115263
3-[2-(ethylamino)ethoxymethyl]-2-fluorobenzonitrile
CID 107118720
2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile
CID 107115192
3-(2-cyclobutylethoxymethyl)-2-fluorobenzonitrile
CID 106201634
3-[(4-bromophenyl)methoxymethyl]-2-fluorobenzonitrile
CID 107115238
2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
CID 107115097
3-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 107115102
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107114269
2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile
CID 107118700
2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile
CID 107118727
3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107115182

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile?
The IUPAC name of 2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile (CID 151134961) is 2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile?
The canonical SMILES for 2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile is C[Si](C)(C)CCOCc1cccc(C#N)c1F.
What is the InChIKey of 2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile?
The InChIKey is MVADRZBBYIHAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOSi/c1-17(2,3)8-7-16-10-12-6-4-5-11(9-15)13(12)14/h4-6H,7-8,10H2,1-3H3.
What are the key properties of 2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile?
2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile has a molecular weight of 251.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile is sourced from PubChem (CID 151134961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).