2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile

C11H13BrFNOSi — CID 58197564

IUPAC2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNOSi/c1-16(2,3)15-11(7-14)9-6-8(12)4-5-10(9)13/h4-6,11H,1-3H3
InChIKeyAEXCBJLNBCFEDP-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.00
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile

2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 58197564) has the molecular formula C11H13BrFNOSi and a molecular weight of 302.22 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID58197564
Molecular FormulaC11H13BrFNOSi
Molecular Weight302.22 g/mol
Exact Mass300.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNOSi/c1-16(2,3)15-11(7-14)9-6-8(12)4-5-10(9)13/h4-6,11H,1-3H3
InChIKeyAEXCBJLNBCFEDP-UHFFFAOYSA-N
XLogP4.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.00
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

2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
1,1,1-Trifluoro-2-(4-bromophenyl)-2-(trimethylsiloxy)ethane
CID 11427386
2-(4-Fluorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
CID 11715552
2-Fluorophenyl(trimethylsilyloxy)acetonitrile
CID 11955040
(3-Bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 20785462
2-Bromo-5-fluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91739655
(alphaS)-4-Fluoro-alpha-((trimethylsilyl)oxy)benzeneacetonitrile
CID 11481482
(2S)-2-(3-fluorophenyl)-2-trimethylsilyloxyacetonitrile
CID 101764948
(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxyacetonitrile
CID 102576926
[1-(4-Bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane
CID 166445362
(2S)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 10932627
(r)-2-Phenyl-2-(trimethylsilyloxy)acetonitrile
CID 11009072

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile (CID 58197564) is 2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is AEXCBJLNBCFEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNOSi/c1-16(2,3)15-11(7-14)9-6-8(12)4-5-10(9)13/h4-6,11H,1-3H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 302.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 58197564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).