(2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride

C8H11ClF2O3S — CID 138039607

IUPAC(2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1C(F)(F)C12CCOCC2
InChIInChI=1S/C8H11ClF2O3S/c9-15(12,13)5-6-7(8(6,10)11)1-3-14-4-2-7/h6H,1-5H2
InChIKeyZAHCWJMTZOIOHU-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.62
Rot. Bonds2

About (2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride

(2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride (PubChem CID 138039607) has the molecular formula C8H11ClF2O3S and a molecular weight of 260.69 g/mol. Its IUPAC name is (2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride
PubChem CID138039607
Molecular FormulaC8H11ClF2O3S
Molecular Weight260.69 g/mol
Exact Mass260.01
IUPAC Name(2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1C(F)(F)C12CCOCC2
InChIInChI=1S/C8H11ClF2O3S/c9-15(12,13)5-6-7(8(6,10)11)1-3-14-4-2-7/h6H,1-5H2
InChIKeyZAHCWJMTZOIOHU-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride?
The IUPAC name of (2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride (CID 138039607) is (2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride.
What is the SMILES notation for (2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride?
The canonical SMILES for (2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride is O=S(=O)(Cl)CC1C(F)(F)C12CCOCC2.
What is the InChIKey of (2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride?
The InChIKey is ZAHCWJMTZOIOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2O3S/c9-15(12,13)5-6-7(8(6,10)11)1-3-14-4-2-7/h6H,1-5H2.
What are the key properties of (2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride?
(2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride has a molecular weight of 260.69 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanesulfonyl chloride is sourced from PubChem (CID 138039607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).