[(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol

C13H27FO2Si — CID 174032532

IUPAC[(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC[C@]1(C)C[C@@]1(F)CO
InChIInChI=1S/C13H27FO2Si/c1-11(2,3)17(5,6)16-8-7-12(4)9-13(12,14)10-15/h15H,7-10H2,1-6H3/t12-,13-/m1/s1
InChIKeyKUZQBWNARNWWKE-CHWSQXEVSA-N
MW262.44 g/mol
LogP3.51
Rot. Bonds5

About [(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol

[(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol (PubChem CID 174032532) has the molecular formula C13H27FO2Si and a molecular weight of 262.44 g/mol. Its IUPAC name is [(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol
PubChem CID174032532
Molecular FormulaC13H27FO2Si
Molecular Weight262.44 g/mol
Exact Mass262.18
IUPAC Name[(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC[C@]1(C)C[C@@]1(F)CO
InChIInChI=1S/C13H27FO2Si/c1-11(2,3)17(5,6)16-8-7-12(4)9-13(12,14)10-15/h15H,7-10H2,1-6H3/t12-,13-/m1/s1
InChIKeyKUZQBWNARNWWKE-CHWSQXEVSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol?
The IUPAC name of [(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol (CID 174032532) is [(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol is CC(C)(C)[Si](C)(C)OCC[C@]1(C)C[C@@]1(F)CO.
What is the InChIKey of [(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol?
The InChIKey is KUZQBWNARNWWKE-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H27FO2Si/c1-11(2,3)17(5,6)16-8-7-12(4)9-13(12,14)10-15/h15H,7-10H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of [(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol?
[(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol has a molecular weight of 262.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-fluoro-2-methylcyclopropyl]methanol is sourced from PubChem (CID 174032532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).