2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride

C6H9ClF2O2S — CID 154578276

IUPAC2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1CC(F)(F)C1
InChIInChI=1S/C6H9ClF2O2S/c7-12(10,11)2-1-5-3-6(8,9)4-5/h5H,1-4H2
InChIKeyJENJOPXAYMRPTJ-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.99
Rot. Bonds3

About 2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride

2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride (PubChem CID 154578276) has the molecular formula C6H9ClF2O2S and a molecular weight of 218.65 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride
PubChem CID154578276
Molecular FormulaC6H9ClF2O2S
Molecular Weight218.65 g/mol
Exact Mass218.00
IUPAC Name2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1CC(F)(F)C1
InChIInChI=1S/C6H9ClF2O2S/c7-12(10,11)2-1-5-3-6(8,9)4-5/h5H,1-4H2
InChIKeyJENJOPXAYMRPTJ-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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Related Compounds

2-Cyclobutylethane-1-sulfonyl chloride
CID 84071545
(3,3-Difluorocyclobutyl)methanesulfonyl chloride
CID 90355675
3-(Difluoromethyl)cyclobutane-1-sulfonyl chloride
CID 118868806
(3-Fluorocyclobutyl)methanesulfonyl chloride
CID 126688657
3-(Trifluoromethyl)cyclobutane-1-sulfonyl chloride
CID 131196495
2-Ethyl-4,4,4-trifluorobutane-1-sulfonyl chloride
CID 132427836
2-Ethyl-4,4-difluorobutane-1-sulfonyl chloride
CID 137698809
{1,1-Difluorospiro[2.3]hexan-5-yl}methanesulfonyl chloride
CID 137964770
(1-(2,2-Difluoroethyl)cyclobutyl)methanesulfonyl chloride
CID 138040584
[3-(Trifluoromethyl)cyclobutyl]methanesulfonyl chloride
CID 138987509
(1-(1,1-Difluoroethyl)cyclobutyl)methanesulfonyl chloride
CID 146049020
3-Ethylcyclobutane-1-sulfonyl chloride
CID 146082566

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride?
The IUPAC name of 2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride (CID 154578276) is 2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCC1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride?
The InChIKey is JENJOPXAYMRPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF2O2S/c7-12(10,11)2-1-5-3-6(8,9)4-5/h5H,1-4H2.
What are the key properties of 2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride?
2-(3,3-difluorocyclobutyl)ethanesulfonyl 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-(3,3-difluorocyclobutyl)ethanesulfonyl chloride is sourced from PubChem (CID 154578276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).