2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C15H21FN2O2Si — CID 165175428

IUPAC2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2c([C@@H]3CO3)ccc(F)c21
InChIInChI=1S/C15H21FN2O2Si/c1-21(2,3)7-6-19-10-18-15-12(8-17-18)11(14-9-20-14)4-5-13(15)16/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyYMZAMRYZRSJTPI-AWEZNQCLSA-N
MW308.43 g/mol
LogP3.56
Rot. Bonds6

About 2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 165175428) has the molecular formula C15H21FN2O2Si and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID165175428
Molecular FormulaC15H21FN2O2Si
Molecular Weight308.43 g/mol
Exact Mass308.14
IUPAC Name2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2c([C@@H]3CO3)ccc(F)c21
InChIInChI=1S/C15H21FN2O2Si/c1-21(2,3)7-6-19-10-18-15-12(8-17-18)11(14-9-20-14)4-5-13(15)16/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyYMZAMRYZRSJTPI-AWEZNQCLSA-N
XLogP3.56
TPSA39.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 165175428) is 2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2c([C@@H]3CO3)ccc(F)c21.
What is the InChIKey of 2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YMZAMRYZRSJTPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21FN2O2Si/c1-21(2,3)7-6-19-10-18-15-12(8-17-18)11(14-9-20-14)4-5-13(15)16/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 308.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 165175428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).