[1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride

C5H6ClF3O2S — CID 55279242

IUPAC[1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(C(F)(F)F)CC1
InChIInChI=1S/C5H6ClF3O2S/c6-12(10,11)3-4(1-2-4)5(7,8)9/h1-3H2
InChIKeyXQVXYKKWUAPBAK-UHFFFAOYSA-N
MW222.61 g/mol
LogP1.90
Rot. Bonds2

About [1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride

[1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride (PubChem CID 55279242) has the molecular formula C5H6ClF3O2S and a molecular weight of 222.61 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride
PubChem CID55279242
Molecular FormulaC5H6ClF3O2S
Molecular Weight222.61 g/mol
Exact Mass221.97
IUPAC Name[1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(C(F)(F)F)CC1
InChIInChI=1S/C5H6ClF3O2S/c6-12(10,11)3-4(1-2-4)5(7,8)9/h1-3H2
InChIKeyXQVXYKKWUAPBAK-UHFFFAOYSA-N
XLogP1.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.61
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-Difluorocyclopropyl)methanesulfonyl chloride
CID 55279478
(1-Fluorocyclopropyl)methanesulfonyl chloride
CID 125424445
1-(Difluoromethyl)cyclopropane-1-sulfonyl chloride
CID 131316551
(1-(Difluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 84672779
2-(2,2-Difluorocyclopropyl)ethane-1-sulfonyl chloride
CID 122163794
(2,2-Difluoro-1-methylcyclopropyl)methanesulfonyl chloride
CID 122163796
(1-(1,1-Difluoroethyl)cyclopropyl)methanesulfonyl chloride
CID 138040905
rac-((1R,2R)-2-(trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 145915792
3,4,4,4-Tetrafluoro-3-trifluoromethylbutane-1-sulfonyl chloride
CID 58901152
1-Cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride
CID 87400947
[1-(Trifluoromethyl)cyclopropyl]methanesulfonic acid
CID 175078887
[1-(Fluoromethyl)cyclopropyl]methanesulfonyl chloride
CID 55262831

Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride?
The IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride (CID 55279242) is [1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride?
The canonical SMILES for [1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(C(F)(F)F)CC1.
What is the InChIKey of [1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride?
The InChIKey is XQVXYKKWUAPBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF3O2S/c6-12(10,11)3-4(1-2-4)5(7,8)9/h1-3H2.
What are the key properties of [1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride?
[1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride has a molecular weight of 222.61 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopropyl]methanesulfonyl chloride is sourced from PubChem (CID 55279242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).