1-adamantylmethanesulfonyl fluoride

C11H17FO2S — CID 139363292

IUPAC1-adamantylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17FO2S/c12-15(13,14)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2
InChIKeyZIUNDOYKXKZKGI-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.50
Rot. Bonds2

About 1-adamantylmethanesulfonyl fluoride

1-adamantylmethanesulfonyl fluoride (PubChem CID 139363292) has the molecular formula C11H17FO2S and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-adamantylmethanesulfonyl fluoride.

Molecular Properties

Compound Name1-adamantylmethanesulfonyl fluoride
PubChem CID139363292
Molecular FormulaC11H17FO2S
Molecular Weight232.32 g/mol
Exact Mass232.09
IUPAC Name1-adamantylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17FO2S/c12-15(13,14)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2
InChIKeyZIUNDOYKXKZKGI-UHFFFAOYSA-N
XLogP2.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethanesulfonyl fluoride?
The IUPAC name of 1-adamantylmethanesulfonyl fluoride (CID 139363292) is 1-adamantylmethanesulfonyl fluoride.
What is the SMILES notation for 1-adamantylmethanesulfonyl fluoride?
The canonical SMILES for 1-adamantylmethanesulfonyl fluoride is O=S(=O)(F)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylmethanesulfonyl fluoride?
The InChIKey is ZIUNDOYKXKZKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO2S/c12-15(13,14)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2.
What are the key properties of 1-adamantylmethanesulfonyl fluoride?
1-adamantylmethanesulfonyl fluoride has a molecular weight of 232.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethanesulfonyl fluoride is sourced from PubChem (CID 139363292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).