1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride

C9H15FO2S — CID 165453304

IUPAC1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC12CCC(CC1)CC2
InChIInChI=1S/C9H15FO2S/c10-13(11,12)7-9-4-1-8(2-5-9)3-6-9/h8H,1-7H2
InChIKeyREGQAAICFTUQSU-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.26
Rot. Bonds2

About 1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride

1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride (PubChem CID 165453304) has the molecular formula C9H15FO2S and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride.

Molecular Properties

Compound Name1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride
PubChem CID165453304
Molecular FormulaC9H15FO2S
Molecular Weight206.28 g/mol
Exact Mass206.08
IUPAC Name1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC12CCC(CC1)CC2
InChIInChI=1S/C9H15FO2S/c10-13(11,12)7-9-4-1-8(2-5-9)3-6-9/h8H,1-7H2
InChIKeyREGQAAICFTUQSU-UHFFFAOYSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride?
The IUPAC name of 1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride (CID 165453304) is 1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride.
What is the SMILES notation for 1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride?
The canonical SMILES for 1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride is O=S(=O)(F)CC12CCC(CC1)CC2.
What is the InChIKey of 1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride?
The InChIKey is REGQAAICFTUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2S/c10-13(11,12)7-9-4-1-8(2-5-9)3-6-9/h8H,1-7H2.
What are the key properties of 1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride?
1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride has a molecular weight of 206.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride is sourced from PubChem (CID 165453304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).