(3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one

C9H9F3O3 — CID 134956675

IUPAC(3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one
SMILESC=CC[C@]1(C(=O)C(F)(F)F)CCOC1=O
InChIInChI=1S/C9H9F3O3/c1-2-3-8(4-5-15-7(8)14)6(13)9(10,11)12/h2H,1,3-5H2/t8-/m1/s1
InChIKeyWLWQMJSEIRBVGX-MRVPVSSYSA-N
MW222.16 g/mol
LogP1.63
Rot. Bonds3

About (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one

(3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one (PubChem CID 134956675) has the molecular formula C9H9F3O3 and a molecular weight of 222.16 g/mol. Its IUPAC name is (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one
PubChem CID134956675
Molecular FormulaC9H9F3O3
Molecular Weight222.16 g/mol
Exact Mass222.05
IUPAC Name(3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one
SMILESC=CC[C@]1(C(=O)C(F)(F)F)CCOC1=O
InChIInChI=1S/C9H9F3O3/c1-2-3-8(4-5-15-7(8)14)6(13)9(10,11)12/h2H,1,3-5H2/t8-/m1/s1
InChIKeyWLWQMJSEIRBVGX-MRVPVSSYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one 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

2-Allyl-3-oxo-4,4,4-trifluorobutyric acid ethyl ester
CID 10799140
3,3-Bis(prop-2-enyl)oxolane-2,4-dione
CID 11217589
Ethyl 2-fluoro-2-(2,2,2-trifluoroacetyl)pent-4-enoate
CID 101948163
Ethyl 2-methyl-3-oxo-2-(2,2,2-trifluoroethyl)pent-4-enoate
CID 162352119
Trifluoromethyl 2-acetyl-2-ethylpent-4-enoate
CID 175402538
(3R)-2-oxo-3-prop-2-enyloxolane-3-carbaldehyde
CID 134968588
3-Prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one
CID 132820672
3-Methyl-3-prop-2-enoyloxolan-2-one
CID 152458430
3-Acetyl-3-allyl-dihydro-furan-2-one
CID 11355697
3-acetyl-3-[(E)-but-2-enyl]oxolan-2-one
CID 12120785
3-Methyl-3-prop-2-enyloxolane-2,4-dione
CID 14636605
(3R)-3-acetyl-3-prop-2-enyloxolan-2-one
CID 45086454

Frequently Asked Questions

What is the IUPAC name of (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one?
The IUPAC name of (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one (CID 134956675) is (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one.
What is the SMILES notation for (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one?
The canonical SMILES for (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one is C=CC[C@]1(C(=O)C(F)(F)F)CCOC1=O.
What is the InChIKey of (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one?
The InChIKey is WLWQMJSEIRBVGX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9F3O3/c1-2-3-8(4-5-15-7(8)14)6(13)9(10,11)12/h2H,1,3-5H2/t8-/m1/s1.
What are the key properties of (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one?
(3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one has a molecular weight of 222.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-prop-2-enyl-3-(2,2,2-trifluoroacetyl)oxolan-2-one is sourced from PubChem (CID 134956675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).