1-methylsulfonyl-2-(trifluoromethyl)cyclopropane

C5H7F3O2S — CID 170012820

IUPAC1-methylsulfonyl-2-(trifluoromethyl)cyclopropane
SMILESCS(=O)(=O)C1CC1C(F)(F)F
InChIInChI=1S/C5H7F3O2S/c1-11(9,10)4-2-3(4)5(6,7)8/h3-4H,2H2,1H3
InChIKeyYSCMUAMBADTMDW-UHFFFAOYSA-N
MW188.17 g/mol
LogP0.98
Rot. Bonds1

About 1-methylsulfonyl-2-(trifluoromethyl)cyclopropane

1-methylsulfonyl-2-(trifluoromethyl)cyclopropane (PubChem CID 170012820) has the molecular formula C5H7F3O2S and a molecular weight of 188.17 g/mol. Its IUPAC name is 1-methylsulfonyl-2-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-methylsulfonyl-2-(trifluoromethyl)cyclopropane
PubChem CID170012820
Molecular FormulaC5H7F3O2S
Molecular Weight188.17 g/mol
Exact Mass188.01
IUPAC Name1-methylsulfonyl-2-(trifluoromethyl)cyclopropane
SMILESCS(=O)(=O)C1CC1C(F)(F)F
InChIInChI=1S/C5H7F3O2S/c1-11(9,10)4-2-3(4)5(6,7)8/h3-4H,2H2,1H3
InChIKeyYSCMUAMBADTMDW-UHFFFAOYSA-N
XLogP0.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2-(trifluoromethyl)cyclopropane?
The IUPAC name of 1-methylsulfonyl-2-(trifluoromethyl)cyclopropane (CID 170012820) is 1-methylsulfonyl-2-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1-methylsulfonyl-2-(trifluoromethyl)cyclopropane?
The canonical SMILES for 1-methylsulfonyl-2-(trifluoromethyl)cyclopropane is CS(=O)(=O)C1CC1C(F)(F)F.
What is the InChIKey of 1-methylsulfonyl-2-(trifluoromethyl)cyclopropane?
The InChIKey is YSCMUAMBADTMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2S/c1-11(9,10)4-2-3(4)5(6,7)8/h3-4H,2H2,1H3.
What are the key properties of 1-methylsulfonyl-2-(trifluoromethyl)cyclopropane?
1-methylsulfonyl-2-(trifluoromethyl)cyclopropane has a molecular weight of 188.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 170012820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).