prop-2-enyl trifluoromethyl carbonate

C5H5F3O3 — CID 100943399

IUPACprop-2-enyl trifluoromethyl carbonate
SMILESC=CCOC(=O)OC(F)(F)F
InChIInChI=1S/C5H5F3O3/c1-2-3-10-4(9)11-5(6,7)8/h2H,1,3H2
InChIKeyCNDDULGKGBBSCU-UHFFFAOYSA-N
MW170.09 g/mol
LogP1.85
Rot. Bonds2

About prop-2-enyl trifluoromethyl carbonate

prop-2-enyl trifluoromethyl carbonate (PubChem CID 100943399) has the molecular formula C5H5F3O3 and a molecular weight of 170.09 g/mol. Its IUPAC name is prop-2-enyl trifluoromethyl carbonate.

Molecular Properties

Compound Nameprop-2-enyl trifluoromethyl carbonate
PubChem CID100943399
Molecular FormulaC5H5F3O3
Molecular Weight170.09 g/mol
Exact Mass170.02
IUPAC Nameprop-2-enyl trifluoromethyl carbonate
SMILESC=CCOC(=O)OC(F)(F)F
InChIInChI=1S/C5H5F3O3/c1-2-3-10-4(9)11-5(6,7)8/h2H,1,3H2
InChIKeyCNDDULGKGBBSCU-UHFFFAOYSA-N
XLogP1.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.09
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 prop-2-enyl trifluoromethyl carbonate?
The IUPAC name of prop-2-enyl trifluoromethyl carbonate (CID 100943399) is prop-2-enyl trifluoromethyl carbonate.
What is the SMILES notation for prop-2-enyl trifluoromethyl carbonate?
The canonical SMILES for prop-2-enyl trifluoromethyl carbonate is C=CCOC(=O)OC(F)(F)F.
What is the InChIKey of prop-2-enyl trifluoromethyl carbonate?
The InChIKey is CNDDULGKGBBSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O3/c1-2-3-10-4(9)11-5(6,7)8/h2H,1,3H2.
What are the key properties of prop-2-enyl trifluoromethyl carbonate?
prop-2-enyl trifluoromethyl carbonate has a molecular weight of 170.09 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl trifluoromethyl carbonate is sourced from PubChem (CID 100943399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).