trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol

C12H25FO2Si — CID 11207405

IUPACtrans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(F)CC[C@H](O)C1
InChIInChI=1S/C12H25FO2Si/c1-11(2,3)16(4,5)15-9-12(13)7-6-10(14)8-12/h10,14H,6-9H2,1-5H3/t10-,12+/m0/s1
InChIKeyQNFYBXUPDOOZPL-CMPLNLGQSA-N
MW248.41 g/mol
LogP3.26
Rot. Bonds3

About trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol

trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol (PubChem CID 11207405) has the molecular formula C12H25FO2Si and a molecular weight of 248.41 g/mol. Its IUPAC name is trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol
PubChem CID11207405
Molecular FormulaC12H25FO2Si
Molecular Weight248.41 g/mol
Exact Mass248.16
IUPAC Nametrans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(F)CC[C@H](O)C1
InChIInChI=1S/C12H25FO2Si/c1-11(2,3)16(4,5)15-9-12(13)7-6-10(14)8-12/h10,14H,6-9H2,1-5H3/t10-,12+/m0/s1
InChIKeyQNFYBXUPDOOZPL-CMPLNLGQSA-N
XLogP3.26
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 ≤ 53.26
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 trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol?
The IUPAC name of trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol (CID 11207405) is trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol.
What is the SMILES notation for trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol?
The canonical SMILES for trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol is CC(C)(C)[Si](C)(C)OC[C@@]1(F)CC[C@H](O)C1.
What is the InChIKey of trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol?
The InChIKey is QNFYBXUPDOOZPL-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H25FO2Si/c1-11(2,3)16(4,5)15-9-12(13)7-6-10(14)8-12/h10,14H,6-9H2,1-5H3/t10-,12+/m0/s1.
What are the key properties of trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol?
trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol has a molecular weight of 248.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentan-1-ol is sourced from PubChem (CID 11207405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).