(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol

C17H25FN2O3Si — CID 67131092

IUPAC(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol
SMILESCOc1cnc2ccc(F)c([C@@H](O)CO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C17H25FN2O3Si/c1-17(2,3)24(5,6)23-10-13(21)15-11(18)7-8-12-16(15)20-14(22-4)9-19-12/h7-9,13,21H,10H2,1-6H3/t13-/m0/s1
InChIKeyHPJFQWAFWFECLG-ZDUSSCGKSA-N
MW352.48 g/mol
LogP3.83
Rot. Bonds5

About (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol (PubChem CID 67131092) has the molecular formula C17H25FN2O3Si and a molecular weight of 352.48 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol
PubChem CID67131092
Molecular FormulaC17H25FN2O3Si
Molecular Weight352.48 g/mol
Exact Mass352.16
IUPAC Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol
SMILESCOc1cnc2ccc(F)c([C@@H](O)CO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C17H25FN2O3Si/c1-17(2,3)24(5,6)23-10-13(21)15-11(18)7-8-12-16(15)20-14(22-4)9-19-12/h7-9,13,21H,10H2,1-6H3/t13-/m0/s1
InChIKeyHPJFQWAFWFECLG-ZDUSSCGKSA-N
XLogP3.83
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol?
The IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol (CID 67131092) is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol.
What is the SMILES notation for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol?
The canonical SMILES for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol is COc1cnc2ccc(F)c([C@@H](O)CO[Si](C)(C)C(C)(C)C)c2n1.
What is the InChIKey of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol?
The InChIKey is HPJFQWAFWFECLG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25FN2O3Si/c1-17(2,3)24(5,6)23-10-13(21)15-11(18)7-8-12-16(15)20-14(22-4)9-19-12/h7-9,13,21H,10H2,1-6H3/t13-/m0/s1.
What are the key properties of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol?
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol has a molecular weight of 352.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-fluoro-3-methoxyquinoxalin-5-yl)ethanol is sourced from PubChem (CID 67131092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).