[(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol

C12H25FO2Si — CID 67190388

IUPAC[(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CO)C[C@@H]1F
InChIInChI=1S/C12H25FO2Si/c1-12(2,3)16(4,5)15-11-7-9(8-14)6-10(11)13/h9-11,14H,6-8H2,1-5H3/t9-,10+,11+/m1/s1
InChIKeyWIXAFXADZBGCAF-VWYCJHECSA-N
MW248.41 g/mol
LogP3.12
Rot. Bonds3

About [(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol

[(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol (PubChem CID 67190388) has the molecular formula C12H25FO2Si and a molecular weight of 248.41 g/mol. Its IUPAC name is [(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol
PubChem CID67190388
Molecular FormulaC12H25FO2Si
Molecular Weight248.41 g/mol
Exact Mass248.16
IUPAC Name[(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CO)C[C@@H]1F
InChIInChI=1S/C12H25FO2Si/c1-12(2,3)16(4,5)15-11-7-9(8-14)6-10(11)13/h9-11,14H,6-8H2,1-5H3/t9-,10+,11+/m1/s1
InChIKeyWIXAFXADZBGCAF-VWYCJHECSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.12
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,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol?
The IUPAC name of [(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol (CID 67190388) is [(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol.
What is the SMILES notation for [(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol?
The canonical SMILES for [(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CO)C[C@@H]1F.
What is the InChIKey of [(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol?
The InChIKey is WIXAFXADZBGCAF-VWYCJHECSA-N. The full InChI is InChI=1S/C12H25FO2Si/c1-12(2,3)16(4,5)15-11-7-9(8-14)6-10(11)13/h9-11,14H,6-8H2,1-5H3/t9-,10+,11+/m1/s1.
What are the key properties of [(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol?
[(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol has a molecular weight of 248.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentyl]methanol is sourced from PubChem (CID 67190388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).