3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride

C5H6ClF3O2S — CID 131196495

IUPAC3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC(C(F)(F)F)C1
InChIInChI=1S/C5H6ClF3O2S/c6-12(10,11)4-1-3(2-4)5(7,8)9/h3-4H,1-2H2
InChIKeyOXNVVAYVSZFZNH-UHFFFAOYSA-N
MW222.62 g/mol
LogP1.90
Rot. Bonds1

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

3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride (PubChem CID 131196495) has the molecular formula C5H6ClF3O2S and a molecular weight of 222.62 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
PubChem CID131196495
Molecular FormulaC5H6ClF3O2S
Molecular Weight222.62 g/mol
Exact Mass221.97
IUPAC Name3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC(C(F)(F)F)C1
InChIInChI=1S/C5H6ClF3O2S/c6-12(10,11)4-1-3(2-4)5(7,8)9/h3-4H,1-2H2
InChIKeyOXNVVAYVSZFZNH-UHFFFAOYSA-N
XLogP1.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 51.90
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-(Difluoromethyl)cyclobutane-1-sulfonyl chloride
CID 118868806
(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)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-(trifluoromethyl)cyclobutane-1-sulfonyl chloride?
The IUPAC name of 3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride (CID 131196495) is 3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride?
The canonical SMILES for 3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride is O=S(=O)(Cl)C1CC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride?
The InChIKey is OXNVVAYVSZFZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF3O2S/c6-12(10,11)4-1-3(2-4)5(7,8)9/h3-4H,1-2H2.
What are the key properties of 3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride?
3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride has a molecular weight of 222.62 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 131196495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).