prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate

C11H15FO2 — CID 174743415

IUPACprop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate
SMILESC=CCOC(=O)C(F)(CC=C)CC=C
InChIInChI=1S/C11H15FO2/c1-4-7-11(12,8-5-2)10(13)14-9-6-3/h4-6H,1-3,7-9H2
InChIKeyMSWBVAJEMOAHJY-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.58
Rot. Bonds7

About prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate

prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate (PubChem CID 174743415) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate
PubChem CID174743415
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Nameprop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate
SMILESC=CCOC(=O)C(F)(CC=C)CC=C
InChIInChI=1S/C11H15FO2/c1-4-7-11(12,8-5-2)10(13)14-9-6-3/h4-6H,1-3,7-9H2
InChIKeyMSWBVAJEMOAHJY-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-fluoro-2-prop-2-enylpent-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 prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate?
The IUPAC name of prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate (CID 174743415) is prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate.
What is the SMILES notation for prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate?
The canonical SMILES for prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate is C=CCOC(=O)C(F)(CC=C)CC=C.
What is the InChIKey of prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate?
The InChIKey is MSWBVAJEMOAHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-4-7-11(12,8-5-2)10(13)14-9-6-3/h4-6H,1-3,7-9H2.
What are the key properties of prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate?
prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate has a molecular weight of 198.24 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate is sourced from PubChem (CID 174743415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).