3-(difluoromethyl)cyclobutane-1-sulfonyl chloride

C5H7ClF2O2S — CID 118868806

IUPAC3-(difluoromethyl)cyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC(C(F)F)C1
InChIInChI=1S/C5H7ClF2O2S/c6-11(9,10)4-1-3(2-4)5(7)8/h3-5H,1-2H2
InChIKeyLJWLEMAUXSPGTL-UHFFFAOYSA-N
MW204.62 g/mol
LogP1.60
Rot. Bonds2

About 3-(difluoromethyl)cyclobutane-1-sulfonyl chloride

3-(difluoromethyl)cyclobutane-1-sulfonyl chloride (PubChem CID 118868806) has the molecular formula C5H7ClF2O2S and a molecular weight of 204.62 g/mol. Its IUPAC name is 3-(difluoromethyl)cyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)cyclobutane-1-sulfonyl chloride
PubChem CID118868806
Molecular FormulaC5H7ClF2O2S
Molecular Weight204.62 g/mol
Exact Mass203.98
IUPAC Name3-(difluoromethyl)cyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC(C(F)F)C1
InChIInChI=1S/C5H7ClF2O2S/c6-11(9,10)4-1-3(2-4)5(7)8/h3-5H,1-2H2
InChIKeyLJWLEMAUXSPGTL-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Difluorocyclobutane-1-sulfonyl chloride
CID 58557426
(1-Fluorocyclobutyl)methanesulfonyl chloride
CID 119031264
(3,3-Difluorocyclobutyl)methanesulfonyl chloride
CID 90355675
(3-Fluorocyclobutyl)methanesulfonyl chloride
CID 126688657
(1-(Difluoromethyl)cyclobutyl)methanesulfonyl chloride
CID 84684212
2-(2,2-Difluorocyclopropyl)ethane-1-sulfonyl chloride
CID 122163794
(1-(Trifluoromethyl)cyclobutyl)methanesulfonyl chloride
CID 125424288
3-(Trifluoromethyl)cyclobutane-1-sulfonyl chloride
CID 131196495
[3-(Trifluoromethyl)cyclobutyl]methanesulfonyl chloride
CID 138987509
rac-((1R,2R)-2-(trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 145915792
2-(3,3-Difluorocyclobutyl)ethane-1-sulfonyl chloride
CID 154578276
rac-((1R,2R)-2-(trifluoromethyl)cyclobutyl)methanesulfonyl chloride
CID 155820610

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)cyclobutane-1-sulfonyl chloride?
The IUPAC name of 3-(difluoromethyl)cyclobutane-1-sulfonyl chloride (CID 118868806) is 3-(difluoromethyl)cyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)cyclobutane-1-sulfonyl chloride?
The canonical SMILES for 3-(difluoromethyl)cyclobutane-1-sulfonyl chloride is O=S(=O)(Cl)C1CC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)cyclobutane-1-sulfonyl chloride?
The InChIKey is LJWLEMAUXSPGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF2O2S/c6-11(9,10)4-1-3(2-4)5(7)8/h3-5H,1-2H2.
What are the key properties of 3-(difluoromethyl)cyclobutane-1-sulfonyl chloride?
3-(difluoromethyl)cyclobutane-1-sulfonyl chloride has a molecular weight of 204.62 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)cyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 118868806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).