[2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride

C6H8ClF3O3S — CID 123323226

IUPAC[2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCC1OC(F)(F)F
InChIInChI=1S/C6H8ClF3O3S/c7-14(11,12)3-4-1-2-5(4)13-6(8,9)10/h4-5H,1-3H2
InChIKeyCWUJTNVEWHCYNS-UHFFFAOYSA-N
MW252.64 g/mol
LogP1.87
Rot. Bonds3

About [2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride

[2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride (PubChem CID 123323226) has the molecular formula C6H8ClF3O3S and a molecular weight of 252.64 g/mol. Its IUPAC name is [2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride
PubChem CID123323226
Molecular FormulaC6H8ClF3O3S
Molecular Weight252.64 g/mol
Exact Mass251.98
IUPAC Name[2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCC1OC(F)(F)F
InChIInChI=1S/C6H8ClF3O3S/c7-14(11,12)3-4-1-2-5(4)13-6(8,9)10/h4-5H,1-3H2
InChIKeyCWUJTNVEWHCYNS-UHFFFAOYSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.64
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride (CID 123323226) is [2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1CCC1OC(F)(F)F.
What is the InChIKey of [2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride?
The InChIKey is CWUJTNVEWHCYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3O3S/c7-14(11,12)3-4-1-2-5(4)13-6(8,9)10/h4-5H,1-3H2.
What are the key properties of [2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride?
[2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride has a molecular weight of 252.64 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 123323226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).