ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile

C14H19BrFNO3Si — CID 158190195

IUPACethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile
SMILESCCOC(=O)C(O)c1ccc(Br)cc1F.C[Si](C)(C)C#N
InChIInChI=1S/C10H10BrFO3.C4H9NSi/c1-2-15-10(14)9(13)7-4-3-6(11)5-8(7)12;1-6(2,3)4-5/h3-5,9,13H,2H2,1H3;1-3H3
InChIKeyFZQRNSYYWANZIG-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.57
Rot. Bonds3

About ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile

ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile (PubChem CID 158190195) has the molecular formula C14H19BrFNO3Si and a molecular weight of 376.30 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile
PubChem CID158190195
Molecular FormulaC14H19BrFNO3Si
Molecular Weight376.30 g/mol
Exact Mass375.03
IUPAC Nameethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile
SMILESCCOC(=O)C(O)c1ccc(Br)cc1F.C[Si](C)(C)C#N
InChIInChI=1S/C10H10BrFO3.C4H9NSi/c1-2-15-10(14)9(13)7-4-3-6(11)5-8(7)12;1-6(2,3)4-5/h3-5,9,13H,2H2,1H3;1-3H3
InChIKeyFZQRNSYYWANZIG-UHFFFAOYSA-N
XLogP3.57
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate
CID 117439456
ethyl (3S)-3-amino-3-(4-bromo-2-fluorophenyl)-2-fluoropropanoate
CID 171246056
ethyl (2R,3R)-3-(4-bromo-2-fluorophenyl)-2-methylbutanoate
CID 70316429
ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108846
ethyl 3-(4-bromo-2-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62399012
2-(4-bromo-2-fluorophenyl)-2-hydroxyacetamide
CID 62225649
ethyl 2-(3-bromo-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117472831
ethyl 2-(5-bromo-2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 117469979
ethyl 4-(4-bromo-2-fluorophenyl)-4-fluorobutanoate
CID 142867184
ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117492087
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile?
The IUPAC name of ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile (CID 158190195) is ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile.
What is the SMILES notation for ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile?
The canonical SMILES for ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile is CCOC(=O)C(O)c1ccc(Br)cc1F.C[Si](C)(C)C#N.
What is the InChIKey of ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile?
The InChIKey is FZQRNSYYWANZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3.C4H9NSi/c1-2-15-10(14)9(13)7-4-3-6(11)5-8(7)12;1-6(2,3)4-5/h3-5,9,13H,2H2,1H3;1-3H3.
What are the key properties of ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile?
ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile has a molecular weight of 376.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile is sourced from PubChem (CID 158190195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).