ethyl 1-fluorosulfonylcyclobutane-1-carboxylate

C7H11FO4S — CID 165459284

IUPACethyl 1-fluorosulfonylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)F)CCC1
InChIInChI=1S/C7H11FO4S/c1-2-12-6(9)7(4-3-5-7)13(8,10)11/h2-5H2,1H3
InChIKeyFMDNMGWTICWFNL-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.77
Rot. Bonds3

About ethyl 1-fluorosulfonylcyclobutane-1-carboxylate

ethyl 1-fluorosulfonylcyclobutane-1-carboxylate (PubChem CID 165459284) has the molecular formula C7H11FO4S and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 1-fluorosulfonylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-fluorosulfonylcyclobutane-1-carboxylate
PubChem CID165459284
Molecular FormulaC7H11FO4S
Molecular Weight210.23 g/mol
Exact Mass210.04
IUPAC Nameethyl 1-fluorosulfonylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)F)CCC1
InChIInChI=1S/C7H11FO4S/c1-2-12-6(9)7(4-3-5-7)13(8,10)11/h2-5H2,1H3
InChIKeyFMDNMGWTICWFNL-UHFFFAOYSA-N
XLogP0.77
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluorosulfonylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-fluorosulfonylcyclobutane-1-carboxylate (CID 165459284) is ethyl 1-fluorosulfonylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-fluorosulfonylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-fluorosulfonylcyclobutane-1-carboxylate is CCOC(=O)C1(S(=O)(=O)F)CCC1.
What is the InChIKey of ethyl 1-fluorosulfonylcyclobutane-1-carboxylate?
The InChIKey is FMDNMGWTICWFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO4S/c1-2-12-6(9)7(4-3-5-7)13(8,10)11/h2-5H2,1H3.
What are the key properties of ethyl 1-fluorosulfonylcyclobutane-1-carboxylate?
ethyl 1-fluorosulfonylcyclobutane-1-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluorosulfonylcyclobutane-1-carboxylate is sourced from PubChem (CID 165459284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).