2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride

C7H11ClF2O3S — CID 155819590

IUPAC2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride
SMILESCOC1(C(F)(F)CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C7H11ClF2O3S/c1-13-6(3-2-4-6)7(9,10)5-14(8,11)12/h2-5H2,1H3
InChIKeyNXHXSXDUBOURIU-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.76
Rot. Bonds4

About 2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride

2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride (PubChem CID 155819590) has the molecular formula C7H11ClF2O3S and a molecular weight of 248.68 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride
PubChem CID155819590
Molecular FormulaC7H11ClF2O3S
Molecular Weight248.68 g/mol
Exact Mass248.01
IUPAC Name2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride
SMILESCOC1(C(F)(F)CS(=O)(=O)Cl)CCC1
InChIInChI=1S/C7H11ClF2O3S/c1-13-6(3-2-4-6)7(9,10)5-14(8,11)12/h2-5H2,1H3
InChIKeyNXHXSXDUBOURIU-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methoxycyclobutyl)methanesulfonyl chloride
CID 115021592
[3-Methoxy-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
CID 145915384
Rac-(1s,3s)-3-methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
CID 146049928
4,4,4-Trifluoro-2-methoxy-2-methylbutane-1-sulfonyl chloride
CID 105510495
1,1,1-Trifluoro-4-methoxy-4-methylpentane-2-sulfonyl chloride
CID 106676778
2-(3,3-Difluorocyclobutyl)-2-methoxyethanesulfonyl chloride
CID 155820190
2,2-Difluoro-2-(1-methoxycyclobutyl)ethane-1-sulfonamide
CID 165894356
3-Methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonamide
CID 165894357
2,2-Difluoro-2-(1-methoxycyclobutyl)ethane-1-sulfonyl fluoride
CID 165899138
3-Methoxy-3-(trifluoromethyl)cyclobutane-1-sulfonyl fluoride
CID 165899424
2-(1-Methoxycyclobutyl)ethane-1-sulfonyl chloride
CID 103558701

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride?
The IUPAC name of 2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride (CID 155819590) is 2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride.
What is the SMILES notation for 2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride?
The canonical SMILES for 2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride is COC1(C(F)(F)CS(=O)(=O)Cl)CCC1.
What is the InChIKey of 2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride?
The InChIKey is NXHXSXDUBOURIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2O3S/c1-13-6(3-2-4-6)7(9,10)5-14(8,11)12/h2-5H2,1H3.
What are the key properties of 2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride?
2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride has a molecular weight of 248.68 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-methoxycyclobutyl)ethanesulfonyl chloride is sourced from PubChem (CID 155819590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).