2-cyclobutyl-2,2-difluoroethanesulfonyl chloride

C6H9ClF2O2S — CID 105473384

IUPAC2-cyclobutyl-2,2-difluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)(F)C1CCC1
InChIInChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(8,9)5-2-1-3-5/h5H,1-4H2
InChIKeyQBMNSHNZRUQSFJ-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.99
Rot. Bonds3

About 2-cyclobutyl-2,2-difluoroethanesulfonyl chloride

2-cyclobutyl-2,2-difluoroethanesulfonyl chloride (PubChem CID 105473384) has the molecular formula C6H9ClF2O2S and a molecular weight of 218.65 g/mol. Its IUPAC name is 2-cyclobutyl-2,2-difluoroethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyclobutyl-2,2-difluoroethanesulfonyl chloride
PubChem CID105473384
Molecular FormulaC6H9ClF2O2S
Molecular Weight218.65 g/mol
Exact Mass218.00
IUPAC Name2-cyclobutyl-2,2-difluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)(F)C1CCC1
InChIInChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(8,9)5-2-1-3-5/h5H,1-4H2
InChIKeyQBMNSHNZRUQSFJ-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2,2-difluoroethanesulfonyl chloride?
The IUPAC name of 2-cyclobutyl-2,2-difluoroethanesulfonyl chloride (CID 105473384) is 2-cyclobutyl-2,2-difluoroethanesulfonyl chloride.
What is the SMILES notation for 2-cyclobutyl-2,2-difluoroethanesulfonyl chloride?
The canonical SMILES for 2-cyclobutyl-2,2-difluoroethanesulfonyl chloride is O=S(=O)(Cl)CC(F)(F)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2,2-difluoroethanesulfonyl chloride?
The InChIKey is QBMNSHNZRUQSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(8,9)5-2-1-3-5/h5H,1-4H2.
What are the key properties of 2-cyclobutyl-2,2-difluoroethanesulfonyl chloride?
2-cyclobutyl-2,2-difluoroethanesulfonyl chloride has a molecular weight of 218.65 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2,2-difluoroethanesulfonyl chloride is sourced from PubChem (CID 105473384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).