3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid

C6H8ClFO4S — CID 130715577

IUPAC3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(F)(CS(=O)(=O)Cl)C1
InChIInChI=1S/C6H8ClFO4S/c7-13(11,12)3-6(8)1-4(2-6)5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyFWKRECICTBPGKY-UHFFFAOYSA-N
MW230.64 g/mol
LogP0.76
Rot. Bonds3

About 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid

3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid (PubChem CID 130715577) has the molecular formula C6H8ClFO4S and a molecular weight of 230.64 g/mol. Its IUPAC name is 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid
PubChem CID130715577
Molecular FormulaC6H8ClFO4S
Molecular Weight230.64 g/mol
Exact Mass229.98
IUPAC Name3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(F)(CS(=O)(=O)Cl)C1
InChIInChI=1S/C6H8ClFO4S/c7-13(11,12)3-6(8)1-4(2-6)5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyFWKRECICTBPGKY-UHFFFAOYSA-N
XLogP0.76
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid?
The IUPAC name of 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid (CID 130715577) is 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid is O=C(O)C1CC(F)(CS(=O)(=O)Cl)C1.
What is the InChIKey of 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid?
The InChIKey is FWKRECICTBPGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFO4S/c7-13(11,12)3-6(8)1-4(2-6)5(9)10/h4H,1-3H2,(H,9,10).
What are the key properties of 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid?
3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid has a molecular weight of 230.64 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid is sourced from PubChem (CID 130715577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).