1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride

C5H6ClF3O2S — CID 87400947

IUPAC1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(C1CC1)C(F)(F)F
InChIInChI=1S/C5H6ClF3O2S/c6-12(10,11)4(3-1-2-3)5(7,8)9/h3-4H,1-2H2
InChIKeyPPSFFJVYZZKDTE-UHFFFAOYSA-N
MW222.62 g/mol
LogP1.90
Rot. Bonds2

About 1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride

1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride (PubChem CID 87400947) has the molecular formula C5H6ClF3O2S and a molecular weight of 222.62 g/mol. Its IUPAC name is 1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride
PubChem CID87400947
Molecular FormulaC5H6ClF3O2S
Molecular Weight222.62 g/mol
Exact Mass221.97
IUPAC Name1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(C1CC1)C(F)(F)F
InChIInChI=1S/C5H6ClF3O2S/c6-12(10,11)4(3-1-2-3)5(7,8)9/h3-4H,1-2H2
InChIKeyPPSFFJVYZZKDTE-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 ≤ 500222.62
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-(Trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 55279242
(2,2-Difluorocyclopropyl)methanesulfonyl chloride
CID 55279478
(3,3-Difluorocyclobutyl)methanesulfonyl chloride
CID 90355675
3-(Difluoromethyl)cyclobutane-1-sulfonyl chloride
CID 118868806
(1-(Difluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 84672779
2-Cyclopropyl-2-fluoroethane-1-sulfonyl chloride
CID 105442390
3-Cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
CID 105473382
2-(2,2-Difluorocyclopropyl)ethane-1-sulfonyl chloride
CID 122163794
(2,2-Difluoro-1-methylcyclopropyl)methanesulfonyl chloride
CID 122163796
3-(Trifluoromethyl)cyclobutane-1-sulfonyl chloride
CID 131196495
rac-((1R,2R)-2-(fluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 137963782
rac-((1R,2R)-2-(1,1-difluoroethyl)cyclopropyl)methanesulfonyl chloride
CID 138987483

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride?
The IUPAC name of 1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride (CID 87400947) is 1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride.
What is the SMILES notation for 1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride?
The canonical SMILES for 1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride is O=S(=O)(Cl)C(C1CC1)C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride?
The InChIKey is PPSFFJVYZZKDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF3O2S/c6-12(10,11)4(3-1-2-3)5(7,8)9/h3-4H,1-2H2.
What are the key properties of 1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride?
1-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride has a molecular weight of 222.62 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-cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride is sourced from PubChem (CID 87400947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).