tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate

C17H31FO4Si — CID 101348849

IUPACtert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCC(C)(C)OC(=O)[C@]1(F)[C@@H]2[C@H]1[C@@H](O)C[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H31FO4Si/c1-15(2,3)21-14(20)17(18)12-10(19)9-11(13(12)17)22-23(7,8)16(4,5)6/h10-13,19H,9H2,1-8H3/t10-,11-,12+,13-,17+/m0/s1
InChIKeyZGLOIDMLPWNHDE-QHRNJGFCSA-N
MW346.52 g/mol
LogP3.44
Rot. Bonds3

About tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate

tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 101348849) has the molecular formula C17H31FO4Si and a molecular weight of 346.52 g/mol. Its IUPAC name is tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID101348849
Molecular FormulaC17H31FO4Si
Molecular Weight346.52 g/mol
Exact Mass346.20
IUPAC Nametert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCC(C)(C)OC(=O)[C@]1(F)[C@@H]2[C@H]1[C@@H](O)C[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H31FO4Si/c1-15(2,3)21-14(20)17(18)12-10(19)9-11(13(12)17)22-23(7,8)16(4,5)6/h10-13,19H,9H2,1-8H3/t10-,11-,12+,13-,17+/m0/s1
InChIKeyZGLOIDMLPWNHDE-QHRNJGFCSA-N
XLogP3.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate (CID 101348849) is tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate is CC(C)(C)OC(=O)[C@]1(F)[C@@H]2[C@H]1[C@@H](O)C[C@@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is ZGLOIDMLPWNHDE-QHRNJGFCSA-N. The full InChI is InChI=1S/C17H31FO4Si/c1-15(2,3)21-14(20)17(18)12-10(19)9-11(13(12)17)22-23(7,8)16(4,5)6/h10-13,19H,9H2,1-8H3/t10-,11-,12+,13-,17+/m0/s1.
What are the key properties of tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 346.52 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 101348849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).