2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride

C10H17FO4S — CID 154832148

IUPAC2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCC2(CCOCC2)CO1
InChIInChI=1S/C10H17FO4S/c11-16(12,13)7-9-1-2-10(8-15-9)3-5-14-6-4-10/h9H,1-8H2
InChIKeyWYAUUYKAJPLZMH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.26
Rot. Bonds2

About 2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride

2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride (PubChem CID 154832148) has the molecular formula C10H17FO4S and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Name2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride
PubChem CID154832148
Molecular FormulaC10H17FO4S
Molecular Weight252.31 g/mol
Exact Mass252.08
IUPAC Name2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCC2(CCOCC2)CO1
InChIInChI=1S/C10H17FO4S/c11-16(12,13)7-9-1-2-10(8-15-9)3-5-14-6-4-10/h9H,1-8H2
InChIKeyWYAUUYKAJPLZMH-UHFFFAOYSA-N
XLogP1.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride?
The IUPAC name of 2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride (CID 154832148) is 2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride.
What is the SMILES notation for 2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride?
The canonical SMILES for 2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride is O=S(=O)(F)CC1CCC2(CCOCC2)CO1.
What is the InChIKey of 2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride?
The InChIKey is WYAUUYKAJPLZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO4S/c11-16(12,13)7-9-1-2-10(8-15-9)3-5-14-6-4-10/h9H,1-8H2.
What are the key properties of 2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride?
2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride has a molecular weight of 252.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride is sourced from PubChem (CID 154832148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).