(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol

C12H25FO3Si — CID 70883019

IUPAC(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OCC[C@H](F)[C@@H]1O
InChIInChI=1S/C12H25FO3Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h9-11,14H,6-8H2,1-5H3/t9-,10+,11-/m0/s1
InChIKeyVEANMGSNSJSPBI-AXFHLTTASA-N
MW264.41 g/mol
LogP2.50
Rot. Bonds3

About (2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol

(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol (PubChem CID 70883019) has the molecular formula C12H25FO3Si and a molecular weight of 264.41 g/mol. Its IUPAC name is (2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
PubChem CID70883019
Molecular FormulaC12H25FO3Si
Molecular Weight264.41 g/mol
Exact Mass264.16
IUPAC Name(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OCC[C@H](F)[C@@H]1O
InChIInChI=1S/C12H25FO3Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h9-11,14H,6-8H2,1-5H3/t9-,10+,11-/m0/s1
InChIKeyVEANMGSNSJSPBI-AXFHLTTASA-N
XLogP2.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol?
The IUPAC name of (2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol (CID 70883019) is (2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol.
What is the SMILES notation for (2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol?
The canonical SMILES for (2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol is CC(C)(C)[Si](C)(C)OC[C@H]1OCC[C@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol?
The InChIKey is VEANMGSNSJSPBI-AXFHLTTASA-N. The full InChI is InChI=1S/C12H25FO3Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h9-11,14H,6-8H2,1-5H3/t9-,10+,11-/m0/s1.
What are the key properties of (2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol?
(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol has a molecular weight of 264.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol is sourced from PubChem (CID 70883019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).