[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride

C7H11ClF2O3S — CID 155978486

IUPAC[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride
SMILESCOCC1(CS(=O)(=O)Cl)CC(F)(F)C1
InChIInChI=1S/C7H11ClF2O3S/c1-13-4-6(5-14(8,11)12)2-7(9,10)3-6/h2-5H2,1H3
InChIKeyVIZQHBLLNNBEJM-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.62
Rot. Bonds4

About [3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride

[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride (PubChem CID 155978486) has the molecular formula C7H11ClF2O3S and a molecular weight of 248.68 g/mol. Its IUPAC name is [3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride
PubChem CID155978486
Molecular FormulaC7H11ClF2O3S
Molecular Weight248.68 g/mol
Exact Mass248.01
IUPAC Name[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride
SMILESCOCC1(CS(=O)(=O)Cl)CC(F)(F)C1
InChIInChI=1S/C7H11ClF2O3S/c1-13-4-6(5-14(8,11)12)2-7(9,10)3-6/h2-5H2,1H3
InChIKeyVIZQHBLLNNBEJM-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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Related Compounds

(1-(Methoxymethyl)cyclobutyl)methanesulfonyl chloride
CID 122163175
(1-(Trifluoromethyl)cyclobutyl)methyl methanesulfonate
CID 87404994
(3,3-Difluoro-1-methylcyclobutyl)methyl methanesulfonate
CID 118061633
(1-Methylcyclobutyl)methyl trifluoromethanesulfonate
CID 99110135
[1-(Methoxymethyl)cyclobutyl]methanesulfonyl fluoride
CID 165864900
[3,3-Difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonamide
CID 165898849
[3,3-Difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl fluoride
CID 165900156
(3,3-Difluorocyclobutyl)methyl ethanesulfonate
CID 177794041
[1-(Methoxymethyl)cyclobutyl]methanesulfinyl chloride
CID 165790986
[1-(Methoxymethyl)-3-methylcyclobutyl]methanesulfonyl chloride
CID 177800443

Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride (CID 155978486) is [3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride is COCC1(CS(=O)(=O)Cl)CC(F)(F)C1.
What is the InChIKey of [3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride?
The InChIKey is VIZQHBLLNNBEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2O3S/c1-13-4-6(5-14(8,11)12)2-7(9,10)3-6/h2-5H2,1H3.
What are the key properties of [3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride?
[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl 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 [3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 155978486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).