tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate

C15H17F2NO6S — CID 164755129

IUPACtert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@]2(CCOc3cc(F)cc(F)c32)COS1(=O)=O
InChIInChI=1S/C15H17F2NO6S/c1-14(2,3)24-13(19)18-15(8-23-25(18,20)21)4-5-22-11-7-9(16)6-10(17)12(11)15/h6-7H,4-5,8H2,1-3H3/t15-/m0/s1
InChIKeyIFKHOCWVNZRBCI-HNNXBMFYSA-N
MW377.37 g/mol
LogP2.45
Rot. Bonds

About tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate

tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate (PubChem CID 164755129) has the molecular formula C15H17F2NO6S and a molecular weight of 377.37 g/mol. Its IUPAC name is tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate
PubChem CID164755129
Molecular FormulaC15H17F2NO6S
Molecular Weight377.37 g/mol
Exact Mass377.07
IUPAC Nametert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@]2(CCOc3cc(F)cc(F)c32)COS1(=O)=O
InChIInChI=1S/C15H17F2NO6S/c1-14(2,3)24-13(19)18-15(8-23-25(18,20)21)4-5-22-11-7-9(16)6-10(17)12(11)15/h6-7H,4-5,8H2,1-3H3/t15-/m0/s1
InChIKeyIFKHOCWVNZRBCI-HNNXBMFYSA-N
XLogP2.45
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate?
The IUPAC name of tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate (CID 164755129) is tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate.
What is the SMILES notation for tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate?
The canonical SMILES for tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate is CC(C)(C)OC(=O)N1[C@@]2(CCOc3cc(F)cc(F)c32)COS1(=O)=O.
What is the InChIKey of tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate?
The InChIKey is IFKHOCWVNZRBCI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17F2NO6S/c1-14(2,3)24-13(19)18-15(8-23-25(18,20)21)4-5-22-11-7-9(16)6-10(17)12(11)15/h6-7H,4-5,8H2,1-3H3/t15-/m0/s1.
What are the key properties of tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate?
tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate has a molecular weight of 377.37 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate is sourced from PubChem (CID 164755129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).