tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate

C17H32FNO4Si — CID 59807321

IUPACtert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)[C@H]2OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]21
InChIInChI=1S/C17H32FNO4Si/c1-16(2,3)22-15(20)19-9-11(18)14-13(19)12(10-21-14)23-24(7,8)17(4,5)6/h11-14H,9-10H2,1-8H3/t11-,12+,13-,14-/m1/s1
InChIKeyMJLKJCNTBFXQQW-XJFOESAGSA-N
MW361.53 g/mol
LogP3.73
Rot. Bonds2

About tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate

tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate (PubChem CID 59807321) has the molecular formula C17H32FNO4Si and a molecular weight of 361.53 g/mol. Its IUPAC name is tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
PubChem CID59807321
Molecular FormulaC17H32FNO4Si
Molecular Weight361.53 g/mol
Exact Mass361.21
IUPAC Nametert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)[C@H]2OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]21
InChIInChI=1S/C17H32FNO4Si/c1-16(2,3)22-15(20)19-9-11(18)14-13(19)12(10-21-14)23-24(7,8)17(4,5)6/h11-14H,9-10H2,1-8H3/t11-,12+,13-,14-/m1/s1
InChIKeyMJLKJCNTBFXQQW-XJFOESAGSA-N
XLogP3.73
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate?
The IUPAC name of tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate (CID 59807321) is tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate.
What is the SMILES notation for tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate?
The canonical SMILES for tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](F)[C@H]2OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]21.
What is the InChIKey of tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate?
The InChIKey is MJLKJCNTBFXQQW-XJFOESAGSA-N. The full InChI is InChI=1S/C17H32FNO4Si/c1-16(2,3)22-15(20)19-9-11(18)14-13(19)12(10-21-14)23-24(7,8)17(4,5)6/h11-14H,9-10H2,1-8H3/t11-,12+,13-,14-/m1/s1.
What are the key properties of tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate?
tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate has a molecular weight of 361.53 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate is sourced from PubChem (CID 59807321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).