bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride

C7H7FO2S — CID 88500838

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride
SMILESCS(=O)(=O)F.c1cc2cc-2c1
InChIInChI=1S/C6H4.CH3FO2S/c1-2-5-4-6(5)3-1;1-5(2,3)4/h1-4H;1H3
InChIKeyJFKZJLQZDCOIPX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.58
Rot. Bonds

About bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride

bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride (PubChem CID 88500838) has the molecular formula C7H7FO2S and a molecular weight of 174.20 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride
PubChem CID88500838
Molecular FormulaC7H7FO2S
Molecular Weight174.20 g/mol
Exact Mass174.02
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride
SMILESCS(=O)(=O)F.c1cc2cc-2c1
InChIInChI=1S/C6H4.CH3FO2S/c1-2-5-4-6(5)3-1;1-5(2,3)4/h1-4H;1H3
InChIKeyJFKZJLQZDCOIPX-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.58
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]hexa-1(6),2,4-triene;methanesulfonyl fluoride?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride (CID 88500838) is bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride is CS(=O)(=O)F.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride?
The InChIKey is JFKZJLQZDCOIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH3FO2S/c1-2-5-4-6(5)3-1;1-5(2,3)4/h1-4H;1H3.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride?
bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride has a molecular weight of 174.20 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;methanesulfonyl fluoride is sourced from PubChem (CID 88500838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).