ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate

C11H15F3O2 — CID 10489963

IUPACethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate
SMILESC=CCC(CC=C)(C(=O)OCC)C(F)(F)F
InChIInChI=1S/C11H15F3O2/c1-4-7-10(8-5-2,11(12,13)14)9(15)16-6-3/h4-5H,1-2,6-8H2,3H3
InChIKeyMTQDWCZTNPWVQI-UHFFFAOYSA-N
MW236.23 g/mol
LogP3.25
Rot. Bonds6

About ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate

ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate (PubChem CID 10489963) has the molecular formula C11H15F3O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate
PubChem CID10489963
Molecular FormulaC11H15F3O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Nameethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate
SMILESC=CCC(CC=C)(C(=O)OCC)C(F)(F)F
InChIInChI=1S/C11H15F3O2/c1-4-7-10(8-5-2,11(12,13)14)9(15)16-6-3/h4-5H,1-2,6-8H2,3H3
InChIKeyMTQDWCZTNPWVQI-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate?
The IUPAC name of ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate (CID 10489963) is ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate.
What is the SMILES notation for ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate?
The canonical SMILES for ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate is C=CCC(CC=C)(C(=O)OCC)C(F)(F)F.
What is the InChIKey of ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate?
The InChIKey is MTQDWCZTNPWVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2/c1-4-7-10(8-5-2,11(12,13)14)9(15)16-6-3/h4-5H,1-2,6-8H2,3H3.
What are the key properties of ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate?
ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate has a molecular weight of 236.23 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-prop-2-enyl-2-(trifluoromethyl)pent-4-enoate is sourced from PubChem (CID 10489963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).