4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride

C12H14ClFO3S — CID 130246611

IUPAC4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C2CC(OCCF)C2)cc1
InChIInChI=1S/C12H14ClFO3S/c13-18(15,16)12-3-1-9(2-4-12)10-7-11(8-10)17-6-5-14/h1-4,10-11H,5-8H2
InChIKeyFINWGDKQZJVRBF-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.85
Rot. Bonds5

About 4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride

4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride (PubChem CID 130246611) has the molecular formula C12H14ClFO3S and a molecular weight of 292.76 g/mol. Its IUPAC name is 4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride
PubChem CID130246611
Molecular FormulaC12H14ClFO3S
Molecular Weight292.76 g/mol
Exact Mass292.03
IUPAC Name4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C2CC(OCCF)C2)cc1
InChIInChI=1S/C12H14ClFO3S/c13-18(15,16)12-3-1-9(2-4-12)10-7-11(8-10)17-6-5-14/h1-4,10-11H,5-8H2
InChIKeyFINWGDKQZJVRBF-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride?
The IUPAC name of 4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride (CID 130246611) is 4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(C2CC(OCCF)C2)cc1.
What is the InChIKey of 4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride?
The InChIKey is FINWGDKQZJVRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO3S/c13-18(15,16)12-3-1-9(2-4-12)10-7-11(8-10)17-6-5-14/h1-4,10-11H,5-8H2.
What are the key properties of 4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride?
4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride has a molecular weight of 292.76 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluoroethoxy)cyclobutyl]benzenesulfonyl chloride is sourced from PubChem (CID 130246611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).