2-(1-fluorocyclobutyl)benzenesulfonyl chloride

C10H10ClFO2S — CID 84728927

IUPAC2-(1-fluorocyclobutyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1C1(F)CCC1
InChIInChI=1S/C10H10ClFO2S/c11-15(13,14)9-5-2-1-4-8(9)10(12)6-3-7-10/h1-2,4-5H,3,6-7H2
InChIKeyCTFLRUXIVMHSIL-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.96
Rot. Bonds2

About 2-(1-fluorocyclobutyl)benzenesulfonyl chloride

2-(1-fluorocyclobutyl)benzenesulfonyl chloride (PubChem CID 84728927) has the molecular formula C10H10ClFO2S and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(1-fluorocyclobutyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(1-fluorocyclobutyl)benzenesulfonyl chloride
PubChem CID84728927
Molecular FormulaC10H10ClFO2S
Molecular Weight248.71 g/mol
Exact Mass248.01
IUPAC Name2-(1-fluorocyclobutyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1C1(F)CCC1
InChIInChI=1S/C10H10ClFO2S/c11-15(13,14)9-5-2-1-4-8(9)10(12)6-3-7-10/h1-2,4-5H,3,6-7H2
InChIKeyCTFLRUXIVMHSIL-UHFFFAOYSA-N
XLogP2.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclobutyl)benzenesulfonyl chloride?
The IUPAC name of 2-(1-fluorocyclobutyl)benzenesulfonyl chloride (CID 84728927) is 2-(1-fluorocyclobutyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(1-fluorocyclobutyl)benzenesulfonyl chloride?
The canonical SMILES for 2-(1-fluorocyclobutyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1C1(F)CCC1.
What is the InChIKey of 2-(1-fluorocyclobutyl)benzenesulfonyl chloride?
The InChIKey is CTFLRUXIVMHSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2S/c11-15(13,14)9-5-2-1-4-8(9)10(12)6-3-7-10/h1-2,4-5H,3,6-7H2.
What are the key properties of 2-(1-fluorocyclobutyl)benzenesulfonyl chloride?
2-(1-fluorocyclobutyl)benzenesulfonyl chloride has a molecular weight of 248.71 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclobutyl)benzenesulfonyl chloride is sourced from PubChem (CID 84728927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).