bicyclo[3.1.0]hexane-3-sulfonyl fluoride

C6H9FO2S — CID 165452681

IUPACbicyclo[3.1.0]hexane-3-sulfonyl fluoride
SMILESO=S(=O)(F)C1CC2CC2C1
InChIInChI=1S/C6H9FO2S/c7-10(8,9)6-2-4-1-5(4)3-6/h4-6H,1-3H2
InChIKeyBIOQVTNFFINCBP-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.08
Rot. Bonds1

About bicyclo[3.1.0]hexane-3-sulfonyl fluoride

bicyclo[3.1.0]hexane-3-sulfonyl fluoride (PubChem CID 165452681) has the molecular formula C6H9FO2S and a molecular weight of 164.20 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane-3-sulfonyl fluoride.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane-3-sulfonyl fluoride
PubChem CID165452681
Molecular FormulaC6H9FO2S
Molecular Weight164.20 g/mol
Exact Mass164.03
IUPAC Namebicyclo[3.1.0]hexane-3-sulfonyl fluoride
SMILESO=S(=O)(F)C1CC2CC2C1
InChIInChI=1S/C6H9FO2S/c7-10(8,9)6-2-4-1-5(4)3-6/h4-6H,1-3H2
InChIKeyBIOQVTNFFINCBP-UHFFFAOYSA-N
XLogP1.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexane-3-sulfonyl fluoride?
The IUPAC name of bicyclo[3.1.0]hexane-3-sulfonyl fluoride (CID 165452681) is bicyclo[3.1.0]hexane-3-sulfonyl fluoride.
What is the SMILES notation for bicyclo[3.1.0]hexane-3-sulfonyl fluoride?
The canonical SMILES for bicyclo[3.1.0]hexane-3-sulfonyl fluoride is O=S(=O)(F)C1CC2CC2C1.
What is the InChIKey of bicyclo[3.1.0]hexane-3-sulfonyl fluoride?
The InChIKey is BIOQVTNFFINCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2S/c7-10(8,9)6-2-4-1-5(4)3-6/h4-6H,1-3H2.
What are the key properties of bicyclo[3.1.0]hexane-3-sulfonyl fluoride?
bicyclo[3.1.0]hexane-3-sulfonyl fluoride has a molecular weight of 164.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexane-3-sulfonyl fluoride is sourced from PubChem (CID 165452681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).