[1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride

C7H11ClF2O2S — CID 146049020

IUPAC[1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride
SMILESCC(F)(F)C1(CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C7H11ClF2O2S/c1-6(9,10)7(3-2-4-7)5-13(8,11)12/h2-5H2,1H3
InChIKeyJTTGHEYQPSKJKC-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.38
Rot. Bonds3

About [1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride

[1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride (PubChem CID 146049020) has the molecular formula C7H11ClF2O2S and a molecular weight of 232.68 g/mol. Its IUPAC name is [1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride
PubChem CID146049020
Molecular FormulaC7H11ClF2O2S
Molecular Weight232.68 g/mol
Exact Mass232.01
IUPAC Name[1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride
SMILESCC(F)(F)C1(CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C7H11ClF2O2S/c1-6(9,10)7(3-2-4-7)5-13(8,11)12/h2-5H2,1H3
InChIKeyJTTGHEYQPSKJKC-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride (CID 146049020) is [1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride is CC(F)(F)C1(CS(=O)(=O)Cl)CCC1.
What is the InChIKey of [1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride?
The InChIKey is JTTGHEYQPSKJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2O2S/c1-6(9,10)7(3-2-4-7)5-13(8,11)12/h2-5H2,1H3.
What are the key properties of [1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride?
[1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride has a molecular weight of 232.68 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 146049020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).