2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride

C7H11ClF2O3S — CID 155820190

IUPAC2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)C1CC(F)(F)C1
InChIInChI=1S/C7H11ClF2O3S/c1-13-6(4-14(8,11)12)5-2-7(9,10)3-5/h5-6H,2-4H2,1H3
InChIKeyJQNZTVMEMQUWBR-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.62
Rot. Bonds4

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

2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride (PubChem CID 155820190) has the molecular formula C7H11ClF2O3S and a molecular weight of 248.68 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride
PubChem CID155820190
Molecular FormulaC7H11ClF2O3S
Molecular Weight248.68 g/mol
Exact Mass248.01
IUPAC Name2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride
SMILESCOC(CS(=O)(=O)Cl)C1CC(F)(F)C1
InChIInChI=1S/C7H11ClF2O3S/c1-13-6(4-14(8,11)12)5-2-7(9,10)3-5/h5-6H,2-4H2,1H3
InChIKeyJQNZTVMEMQUWBR-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride (CID 155820190) is 2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride is COC(CS(=O)(=O)Cl)C1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride?
The InChIKey is JQNZTVMEMQUWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2O3S/c1-13-6(4-14(8,11)12)5-2-7(9,10)3-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride?
2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride has a molecular weight of 248.68 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-2-methoxyethanesulfonyl chloride is sourced from PubChem (CID 155820190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).