(2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride

C8H13FO2S — CID 124707851

IUPAC(2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride
SMILESO=S(=O)(F)[C@H]1CC2CCC1CC2
InChIInChI=1S/C8H13FO2S/c9-12(10,11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2/t6?,7?,8-/m0/s1
InChIKeyNIXKPLAFWMVHAK-RRQHEKLDSA-N
MW192.25 g/mol
LogP1.86
Rot. Bonds1

About (2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride

(2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride (PubChem CID 124707851) has the molecular formula C8H13FO2S and a molecular weight of 192.25 g/mol. Its IUPAC name is (2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride.

Molecular Properties

Compound Name(2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride
PubChem CID124707851
Molecular FormulaC8H13FO2S
Molecular Weight192.25 g/mol
Exact Mass192.06
IUPAC Name(2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride
SMILESO=S(=O)(F)[C@H]1CC2CCC1CC2
InChIInChI=1S/C8H13FO2S/c9-12(10,11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2/t6?,7?,8-/m0/s1
InChIKeyNIXKPLAFWMVHAK-RRQHEKLDSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride?
The IUPAC name of (2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride (CID 124707851) is (2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride.
What is the SMILES notation for (2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride?
The canonical SMILES for (2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride is O=S(=O)(F)[C@H]1CC2CCC1CC2.
What is the InChIKey of (2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride?
The InChIKey is NIXKPLAFWMVHAK-RRQHEKLDSA-N. The full InChI is InChI=1S/C8H13FO2S/c9-12(10,11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride?
(2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride has a molecular weight of 192.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-bicyclo[2.2.2]octane-2-sulfonyl fluoride is sourced from PubChem (CID 124707851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).