1-(trifluoromethylsulfonylmethyl)cyclopropene

C5H5F3O2S — CID 89197737

IUPAC1-(trifluoromethylsulfonylmethyl)cyclopropene
SMILESO=S(=O)(CC1=CC1)C(F)(F)F
InChIInChI=1S/C5H5F3O2S/c6-5(7,8)11(9,10)3-4-1-2-4/h1H,2-3H2
InChIKeyJITGVEVUNIVMRP-UHFFFAOYSA-N
MW186.15 g/mol
LogP1.25
Rot. Bonds2

About 1-(trifluoromethylsulfonylmethyl)cyclopropene

1-(trifluoromethylsulfonylmethyl)cyclopropene (PubChem CID 89197737) has the molecular formula C5H5F3O2S and a molecular weight of 186.15 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonylmethyl)cyclopropene.

Molecular Properties

Compound Name1-(trifluoromethylsulfonylmethyl)cyclopropene
PubChem CID89197737
Molecular FormulaC5H5F3O2S
Molecular Weight186.15 g/mol
Exact Mass186.00
IUPAC Name1-(trifluoromethylsulfonylmethyl)cyclopropene
SMILESO=S(=O)(CC1=CC1)C(F)(F)F
InChIInChI=1S/C5H5F3O2S/c6-5(7,8)11(9,10)3-4-1-2-4/h1H,2-3H2
InChIKeyJITGVEVUNIVMRP-UHFFFAOYSA-N
XLogP1.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonylmethyl)cyclopropene?
The IUPAC name of 1-(trifluoromethylsulfonylmethyl)cyclopropene (CID 89197737) is 1-(trifluoromethylsulfonylmethyl)cyclopropene.
What is the SMILES notation for 1-(trifluoromethylsulfonylmethyl)cyclopropene?
The canonical SMILES for 1-(trifluoromethylsulfonylmethyl)cyclopropene is O=S(=O)(CC1=CC1)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonylmethyl)cyclopropene?
The InChIKey is JITGVEVUNIVMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2S/c6-5(7,8)11(9,10)3-4-1-2-4/h1H,2-3H2.
What are the key properties of 1-(trifluoromethylsulfonylmethyl)cyclopropene?
1-(trifluoromethylsulfonylmethyl)cyclopropene has a molecular weight of 186.15 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonylmethyl)cyclopropene is sourced from PubChem (CID 89197737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).