5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol

C11H20FNO3S — CID 164871702

IUPAC5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol
SMILESCC(C)(C)S(=O)(=O)N1CC(O)CC12CC(F)C2
InChIInChI=1S/C11H20FNO3S/c1-10(2,3)17(15,16)13-7-9(14)6-11(13)4-8(12)5-11/h8-9,14H,4-7H2,1-3H3
InChIKeyQPCGYDGKAHFJJC-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.05
Rot. Bonds1

About 5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol

5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol (PubChem CID 164871702) has the molecular formula C11H20FNO3S and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol.

Molecular Properties

Compound Name5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol
PubChem CID164871702
Molecular FormulaC11H20FNO3S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol
SMILESCC(C)(C)S(=O)(=O)N1CC(O)CC12CC(F)C2
InChIInChI=1S/C11H20FNO3S/c1-10(2,3)17(15,16)13-7-9(14)6-11(13)4-8(12)5-11/h8-9,14H,4-7H2,1-3H3
InChIKeyQPCGYDGKAHFJJC-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol?
The IUPAC name of 5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol (CID 164871702) is 5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol.
What is the SMILES notation for 5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol?
The canonical SMILES for 5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol is CC(C)(C)S(=O)(=O)N1CC(O)CC12CC(F)C2.
What is the InChIKey of 5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol?
The InChIKey is QPCGYDGKAHFJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3S/c1-10(2,3)17(15,16)13-7-9(14)6-11(13)4-8(12)5-11/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol?
5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol has a molecular weight of 265.35 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-ol is sourced from PubChem (CID 164871702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).