prop-2-enyl 2,2,2-trifluoroethyl carbonate

C6H7F3O3 — CID 22116737

IUPACprop-2-enyl 2,2,2-trifluoroethyl carbonate
SMILESC=CCOC(=O)OCC(F)(F)F
InChIInChI=1S/C6H7F3O3/c1-2-3-11-5(10)12-4-6(7,8)9/h2H,1,3-4H2
InChIKeyHNVSHGOZNZRSTL-UHFFFAOYSA-N
MW184.11 g/mol
LogP1.89
Rot. Bonds3

About prop-2-enyl 2,2,2-trifluoroethyl carbonate

prop-2-enyl 2,2,2-trifluoroethyl carbonate (PubChem CID 22116737) has the molecular formula C6H7F3O3 and a molecular weight of 184.11 g/mol. Its IUPAC name is prop-2-enyl 2,2,2-trifluoroethyl carbonate.

Molecular Properties

Compound Nameprop-2-enyl 2,2,2-trifluoroethyl carbonate
PubChem CID22116737
Molecular FormulaC6H7F3O3
Molecular Weight184.11 g/mol
Exact Mass184.03
IUPAC Nameprop-2-enyl 2,2,2-trifluoroethyl carbonate
SMILESC=CCOC(=O)OCC(F)(F)F
InChIInChI=1S/C6H7F3O3/c1-2-3-11-5(10)12-4-6(7,8)9/h2H,1,3-4H2
InChIKeyHNVSHGOZNZRSTL-UHFFFAOYSA-N
XLogP1.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 51.89
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 2,2,2-trifluoroethyl carbonate?
The IUPAC name of prop-2-enyl 2,2,2-trifluoroethyl carbonate (CID 22116737) is prop-2-enyl 2,2,2-trifluoroethyl carbonate.
What is the SMILES notation for prop-2-enyl 2,2,2-trifluoroethyl carbonate?
The canonical SMILES for prop-2-enyl 2,2,2-trifluoroethyl carbonate is C=CCOC(=O)OCC(F)(F)F.
What is the InChIKey of prop-2-enyl 2,2,2-trifluoroethyl carbonate?
The InChIKey is HNVSHGOZNZRSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O3/c1-2-3-11-5(10)12-4-6(7,8)9/h2H,1,3-4H2.
What are the key properties of prop-2-enyl 2,2,2-trifluoroethyl carbonate?
prop-2-enyl 2,2,2-trifluoroethyl carbonate has a molecular weight of 184.11 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,2,2-trifluoroethyl carbonate is sourced from PubChem (CID 22116737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).