cyclopropen-1-yl trifluoromethanesulfonate

C4H3F3O3S — CID 89361921

IUPACcyclopropen-1-yl trifluoromethanesulfonate
SMILESO=S(=O)(OC1=CC1)C(F)(F)F
InChIInChI=1S/C4H3F3O3S/c5-4(6,7)11(8,9)10-3-1-2-3/h1H,2H2
InChIKeyJFDBHWWEKIVQHP-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.14
Rot. Bonds2

About cyclopropen-1-yl trifluoromethanesulfonate

cyclopropen-1-yl trifluoromethanesulfonate (PubChem CID 89361921) has the molecular formula C4H3F3O3S and a molecular weight of 188.13 g/mol. Its IUPAC name is cyclopropen-1-yl trifluoromethanesulfonate.

Molecular Properties

Compound Namecyclopropen-1-yl trifluoromethanesulfonate
PubChem CID89361921
Molecular FormulaC4H3F3O3S
Molecular Weight188.13 g/mol
Exact Mass187.98
IUPAC Namecyclopropen-1-yl trifluoromethanesulfonate
SMILESO=S(=O)(OC1=CC1)C(F)(F)F
InChIInChI=1S/C4H3F3O3S/c5-4(6,7)11(8,9)10-3-1-2-3/h1H,2H2
InChIKeyJFDBHWWEKIVQHP-UHFFFAOYSA-N
XLogP1.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze cyclopropen-1-yl trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloocta-1,5-dien-1-yl trifluoromethanesulfonate;palladium
CID 173368820
[3,5-bis(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 19421193
spiro[3.3]hept-2-en-2-yl trifluoromethanesulfonate
CID 122573938
(5-methyl(213C)cyclohepten-1-yl) trifluoromethanesulfonate
CID 11807395
5-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 22625668
[(5S)-5-methyl(113C)cyclohepten-1-yl] trifluoromethanesulfonate
CID 10912224
1,2,3,4-tetrahydropyridin-5-yl trifluoromethanesulfonate
CID 89361767
[(5S)-4,4,5-trimethylcyclohexen-1-yl] trifluoromethanesulfonate
CID 142729649
(4-methylsulfonylcyclohexen-1-yl) trifluoromethanesulfonate
CID 86611437
4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylate
CID 22711419
[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate
CID 89078468
(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate
CID 90097842

Frequently Asked Questions

What is the IUPAC name of cyclopropen-1-yl trifluoromethanesulfonate?
The IUPAC name of cyclopropen-1-yl trifluoromethanesulfonate (CID 89361921) is cyclopropen-1-yl trifluoromethanesulfonate.
What is the SMILES notation for cyclopropen-1-yl trifluoromethanesulfonate?
The canonical SMILES for cyclopropen-1-yl trifluoromethanesulfonate is O=S(=O)(OC1=CC1)C(F)(F)F.
What is the InChIKey of cyclopropen-1-yl trifluoromethanesulfonate?
The InChIKey is JFDBHWWEKIVQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O3S/c5-4(6,7)11(8,9)10-3-1-2-3/h1H,2H2.
What are the key properties of cyclopropen-1-yl trifluoromethanesulfonate?
cyclopropen-1-yl trifluoromethanesulfonate has a molecular weight of 188.13 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropen-1-yl trifluoromethanesulfonate is sourced from PubChem (CID 89361921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).