1-methyl-2-(trifluoromethylsulfonyl)cyclopropane

C5H7F3O2S — CID 89323217

IUPAC1-methyl-2-(trifluoromethylsulfonyl)cyclopropane
SMILESCC1CC1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3O2S/c1-3-2-4(3)11(9,10)5(6,7)8/h3-4H,2H2,1H3
InChIKeyMQGLPXXSLJVOLC-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.33
Rot. Bonds1

About 1-methyl-2-(trifluoromethylsulfonyl)cyclopropane

1-methyl-2-(trifluoromethylsulfonyl)cyclopropane (PubChem CID 89323217) has the molecular formula C5H7F3O2S and a molecular weight of 188.17 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethylsulfonyl)cyclopropane.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethylsulfonyl)cyclopropane
PubChem CID89323217
Molecular FormulaC5H7F3O2S
Molecular Weight188.17 g/mol
Exact Mass188.01
IUPAC Name1-methyl-2-(trifluoromethylsulfonyl)cyclopropane
SMILESCC1CC1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3O2S/c1-3-2-4(3)11(9,10)5(6,7)8/h3-4H,2H2,1H3
InChIKeyMQGLPXXSLJVOLC-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethylsulfonyl)cyclopropane?
The IUPAC name of 1-methyl-2-(trifluoromethylsulfonyl)cyclopropane (CID 89323217) is 1-methyl-2-(trifluoromethylsulfonyl)cyclopropane.
What is the SMILES notation for 1-methyl-2-(trifluoromethylsulfonyl)cyclopropane?
The canonical SMILES for 1-methyl-2-(trifluoromethylsulfonyl)cyclopropane is CC1CC1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethylsulfonyl)cyclopropane?
The InChIKey is MQGLPXXSLJVOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2S/c1-3-2-4(3)11(9,10)5(6,7)8/h3-4H,2H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethylsulfonyl)cyclopropane?
1-methyl-2-(trifluoromethylsulfonyl)cyclopropane has a molecular weight of 188.17 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethylsulfonyl)cyclopropane is sourced from PubChem (CID 89323217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).