methyl 3-fluorosulfonylcyclobutane-1-carboxylate

C6H9FO4S — CID 165453067

IUPACmethyl 3-fluorosulfonylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(S(=O)(=O)F)C1
InChIInChI=1S/C6H9FO4S/c1-11-6(8)4-2-5(3-4)12(7,9)10/h4-5H,2-3H2,1H3
InChIKeyRAXNEHPGLITFKK-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.24
Rot. Bonds2

About methyl 3-fluorosulfonylcyclobutane-1-carboxylate

methyl 3-fluorosulfonylcyclobutane-1-carboxylate (PubChem CID 165453067) has the molecular formula C6H9FO4S and a molecular weight of 196.20 g/mol. Its IUPAC name is methyl 3-fluorosulfonylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluorosulfonylcyclobutane-1-carboxylate
PubChem CID165453067
Molecular FormulaC6H9FO4S
Molecular Weight196.20 g/mol
Exact Mass196.02
IUPAC Namemethyl 3-fluorosulfonylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(S(=O)(=O)F)C1
InChIInChI=1S/C6H9FO4S/c1-11-6(8)4-2-5(3-4)12(7,9)10/h4-5H,2-3H2,1H3
InChIKeyRAXNEHPGLITFKK-UHFFFAOYSA-N
XLogP0.24
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluorosulfonylcyclobutane-1-carboxylate?
The IUPAC name of methyl 3-fluorosulfonylcyclobutane-1-carboxylate (CID 165453067) is methyl 3-fluorosulfonylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-fluorosulfonylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-fluorosulfonylcyclobutane-1-carboxylate is COC(=O)C1CC(S(=O)(=O)F)C1.
What is the InChIKey of methyl 3-fluorosulfonylcyclobutane-1-carboxylate?
The InChIKey is RAXNEHPGLITFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO4S/c1-11-6(8)4-2-5(3-4)12(7,9)10/h4-5H,2-3H2,1H3.
What are the key properties of methyl 3-fluorosulfonylcyclobutane-1-carboxylate?
methyl 3-fluorosulfonylcyclobutane-1-carboxylate has a molecular weight of 196.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluorosulfonylcyclobutane-1-carboxylate is sourced from PubChem (CID 165453067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).