1,2,3-trifluoroprop-2-enyl prop-2-enoate

C6H5F3O2 — CID 173408929

IUPAC1,2,3-trifluoroprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OC(F)C(F)=CF
InChIInChI=1S/C6H5F3O2/c1-2-5(10)11-6(9)4(8)3-7/h2-3,6H,1H2
InChIKeyGVUYEWGRMMEDLE-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.79
Rot. Bonds3

About 1,2,3-trifluoroprop-2-enyl prop-2-enoate

1,2,3-trifluoroprop-2-enyl prop-2-enoate (PubChem CID 173408929) has the molecular formula C6H5F3O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 1,2,3-trifluoroprop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name1,2,3-trifluoroprop-2-enyl prop-2-enoate
PubChem CID173408929
Molecular FormulaC6H5F3O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name1,2,3-trifluoroprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OC(F)C(F)=CF
InChIInChI=1S/C6H5F3O2/c1-2-5(10)11-6(9)4(8)3-7/h2-3,6H,1H2
InChIKeyGVUYEWGRMMEDLE-UHFFFAOYSA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1,2,3-trifluoroprop-2-enyl prop-2-enoate 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

1-fluoroprop-2-enyl prop-2-enoate
CID 87065178
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
1-silylprop-2-enyl prop-2-enoate
CID 173000207
1,1,1,3,3-pentafluoropropan-2-yl prop-2-enoate
CID 87389803
1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane
CID 175090999
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononyl prop-2-enoate
CID 22465163
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1,2,2,3,3,4,5,6,7,8,9,9-dodecafluorononyl prop-2-enoate
CID 135341747
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate
CID 87299763
[2,2,2-trifluoro-1-(trifluoromethoxy)ethyl] prop-2-enoate
CID 139981517

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoroprop-2-enyl prop-2-enoate?
The IUPAC name of 1,2,3-trifluoroprop-2-enyl prop-2-enoate (CID 173408929) is 1,2,3-trifluoroprop-2-enyl prop-2-enoate.
What is the SMILES notation for 1,2,3-trifluoroprop-2-enyl prop-2-enoate?
The canonical SMILES for 1,2,3-trifluoroprop-2-enyl prop-2-enoate is C=CC(=O)OC(F)C(F)=CF.
What is the InChIKey of 1,2,3-trifluoroprop-2-enyl prop-2-enoate?
The InChIKey is GVUYEWGRMMEDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O2/c1-2-5(10)11-6(9)4(8)3-7/h2-3,6H,1H2.
What are the key properties of 1,2,3-trifluoroprop-2-enyl prop-2-enoate?
1,2,3-trifluoroprop-2-enyl prop-2-enoate has a molecular weight of 166.10 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoroprop-2-enyl prop-2-enoate is sourced from PubChem (CID 173408929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).