2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride

C7H10F3NO2S — CID 135564414

IUPAC2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCCC2(C1)CC2(F)F
InChIInChI=1S/C7H10F3NO2S/c8-7(9)4-6(7)2-1-3-11(5-6)14(10,12)13/h1-5H2
InChIKeyMJMDLLGYPIQWPI-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.32
Rot. Bonds1

About 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride

2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride (PubChem CID 135564414) has the molecular formula C7H10F3NO2S and a molecular weight of 229.22 g/mol. Its IUPAC name is 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride
PubChem CID135564414
Molecular FormulaC7H10F3NO2S
Molecular Weight229.22 g/mol
Exact Mass229.04
IUPAC Name2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCCC2(C1)CC2(F)F
InChIInChI=1S/C7H10F3NO2S/c8-7(9)4-6(7)2-1-3-11(5-6)14(10,12)13/h1-5H2
InChIKeyMJMDLLGYPIQWPI-UHFFFAOYSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride?
The IUPAC name of 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride (CID 135564414) is 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride.
What is the SMILES notation for 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride?
The canonical SMILES for 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride is O=S(=O)(F)N1CCCC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride?
The InChIKey is MJMDLLGYPIQWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2S/c8-7(9)4-6(7)2-1-3-11(5-6)14(10,12)13/h1-5H2.
What are the key properties of 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride?
2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride has a molecular weight of 229.22 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-azaspiro[2.5]octane-5-sulfonyl fluoride is sourced from PubChem (CID 135564414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).