[1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride

C7H11ClF2O2S — CID 138040584

IUPAC[1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(CC(F)F)CCC1
InChIInChI=1S/C7H11ClF2O2S/c8-13(11,12)5-7(2-1-3-7)4-6(9)10/h6H,1-5H2
InChIKeyPVXKOJCTJUHJIC-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.38
Rot. Bonds4

About [1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride

[1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride (PubChem CID 138040584) has the molecular formula C7H11ClF2O2S and a molecular weight of 232.68 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride
PubChem CID138040584
Molecular FormulaC7H11ClF2O2S
Molecular Weight232.68 g/mol
Exact Mass232.01
IUPAC Name[1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(CC(F)F)CCC1
InChIInChI=1S/C7H11ClF2O2S/c8-13(11,12)5-7(2-1-3-7)4-6(9)10/h6H,1-5H2
InChIKeyPVXKOJCTJUHJIC-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-(Difluoromethyl)cyclobutyl)methanesulfonyl chloride
CID 84684212
[1-(Difluoromethyl)cyclopentyl]methanesulfonyl chloride
CID 84696240
(1-(Trifluoromethyl)cyclobutyl)methanesulfonyl chloride
CID 125424288
[1-(Trifluoromethyl)cyclopentyl]methanesulfonyl chloride
CID 137935453
{1-Fluorospiro[2.3]hexan-5-yl}methanesulfonyl chloride
CID 137935937
[2-(Trifluoromethyl)spiro[3.3]heptan-2-yl]methanesulfonyl chloride
CID 137949937
{1,1-Difluorospiro[2.3]hexan-5-yl}methanesulfonyl chloride
CID 137964770
{2,2-Difluorospiro[2.3]hexan-1-yl}methanesulfonyl chloride
CID 138039572
[3-(Trifluoromethyl)cyclobutyl]methanesulfonyl chloride
CID 138987509
6,6-Difluorospiro(3.3)heptane-2-sulfonyl chloride
CID 139026822
(1-(1,1-Difluoroethyl)cyclobutyl)methanesulfonyl chloride
CID 146049020
2-(3,3-Difluorocyclobutyl)ethane-1-sulfonyl chloride
CID 154578276

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride?
The IUPAC name of [1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride (CID 138040584) is [1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride?
The canonical SMILES for [1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(CC(F)F)CCC1.
What is the InChIKey of [1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride?
The InChIKey is PVXKOJCTJUHJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2O2S/c8-13(11,12)5-7(2-1-3-7)4-6(9)10/h6H,1-5H2.
What are the key properties of [1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride?
[1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride has a molecular weight of 232.68 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride is sourced from PubChem (CID 138040584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).