[1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride

C6H9ClF2O2S — CID 84684212

IUPAC[1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(C(F)F)CCC1
InChIInChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(5(8)9)2-1-3-6/h5H,1-4H2
InChIKeyGRDNNQBUDUGDQB-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.99
Rot. Bonds3

About [1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride

[1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride (PubChem CID 84684212) has the molecular formula C6H9ClF2O2S and a molecular weight of 218.65 g/mol. Its IUPAC name is [1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride
PubChem CID84684212
Molecular FormulaC6H9ClF2O2S
Molecular Weight218.65 g/mol
Exact Mass218.00
IUPAC Name[1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(C(F)F)CCC1
InChIInChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(5(8)9)2-1-3-6/h5H,1-4H2
InChIKeyGRDNNQBUDUGDQB-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

[1-(1,1-difluoroethyl)cyclobutyl]methanesulfonyl chloride
CID 146049020
[1-(fluoromethyl)cyclobutyl]methanesulfonyl chloride
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(1-cyanocyclobutyl)methanesulfonyl chloride
CID 75480697
[1-(difluoromethyl)cyclobutyl]methanesulfinamide
CID 165452874
1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride
CID 119031417
(1-ethylcyclopropyl)methanesulfonyl chloride
CID 84658824
1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid
CID 22646698
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
CID 65010286
fluoroform;methanesulfonyl chloride
CID 158897545
1-(difluoromethyl)-N-methylcyclobutan-1-amine
CID 80610713
(1-phenylmethoxycyclobutyl)methanesulfonyl chloride
CID 115050877

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride (CID 84684212) is [1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(C(F)F)CCC1.
What is the InChIKey of [1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride?
The InChIKey is GRDNNQBUDUGDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(5(8)9)2-1-3-6/h5H,1-4H2.
What are the key properties of [1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride?
[1-(difluoromethyl)cyclobutyl]methanesulfonyl 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 [1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 84684212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).