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

C21H26F2O2SSi — CID 10692836

IUPAC(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1SCC(F)(F)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26F2O2SSi/c1-20(2,3)27(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-14-18-19(24)21(22,23)15-26-18/h4-13,18-19,24H,14-15H2,1-3H3/t18-,19-/m1/s1
InChIKeyIHRFHUNDQJSXBT-RTBURBONSA-N
MW408.59 g/mol
LogP3.67
Rot. Bonds5

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

(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol (PubChem CID 10692836) has the molecular formula C21H26F2O2SSi and a molecular weight of 408.59 g/mol. Its IUPAC name is (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
PubChem CID10692836
Molecular FormulaC21H26F2O2SSi
Molecular Weight408.59 g/mol
Exact Mass408.14
IUPAC Name(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1SCC(F)(F)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26F2O2SSi/c1-20(2,3)27(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-14-18-19(24)21(22,23)15-26-18/h4-13,18-19,24H,14-15H2,1-3H3/t18-,19-/m1/s1
InChIKeyIHRFHUNDQJSXBT-RTBURBONSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 71138268
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 58682742
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol
CID 11383549
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(2R,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2-hydroxypropan-2-yloxy)oxolan-3-ol
CID 144948924
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol?
The IUPAC name of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol (CID 10692836) is (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol.
What is the SMILES notation for (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol?
The canonical SMILES for (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol is CC(C)(C)[Si](OC[C@H]1SCC(F)(F)[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol?
The InChIKey is IHRFHUNDQJSXBT-RTBURBONSA-N. The full InChI is InChI=1S/C21H26F2O2SSi/c1-20(2,3)27(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-14-18-19(24)21(22,23)15-26-18/h4-13,18-19,24H,14-15H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol?
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol has a molecular weight of 408.59 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol is sourced from PubChem (CID 10692836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).