[1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride

C6H8ClF3O2S — CID 125424288

IUPAC[1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(C(F)(F)F)CCC1
InChIInChI=1S/C6H8ClF3O2S/c7-13(11,12)4-5(2-1-3-5)6(8,9)10/h1-4H2
InChIKeyADZCQUYUNBPJOC-UHFFFAOYSA-N
MW236.64 g/mol
LogP2.29
Rot. Bonds2

About [1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride

[1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride (PubChem CID 125424288) has the molecular formula C6H8ClF3O2S and a molecular weight of 236.64 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
PubChem CID125424288
Molecular FormulaC6H8ClF3O2S
Molecular Weight236.64 g/mol
Exact Mass235.99
IUPAC Name[1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(C(F)(F)F)CCC1
InChIInChI=1S/C6H8ClF3O2S/c7-13(11,12)4-5(2-1-3-5)6(8,9)10/h1-4H2
InChIKeyADZCQUYUNBPJOC-UHFFFAOYSA-N
XLogP2.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride (CID 125424288) is [1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(C(F)(F)F)CCC1.
What is the InChIKey of [1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
The InChIKey is ADZCQUYUNBPJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3O2S/c7-13(11,12)4-5(2-1-3-5)6(8,9)10/h1-4H2.
What are the key properties of [1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride?
[1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride has a molecular weight of 236.64 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 125424288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).