2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate

C8H11F3O4 — CID 173166390

IUPAC2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate
SMILESCCC=C(OC(F)(F)F)C(=O)OCCO
InChIInChI=1S/C8H11F3O4/c1-2-3-6(15-8(9,10)11)7(13)14-5-4-12/h3,12H,2,4-5H2,1H3
InChIKeyMEYVFOAEZXTWKR-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.35
Rot. Bonds5

About 2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate

2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate (PubChem CID 173166390) has the molecular formula C8H11F3O4 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate
PubChem CID173166390
Molecular FormulaC8H11F3O4
Molecular Weight228.17 g/mol
Exact Mass228.06
IUPAC Name2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate
SMILESCCC=C(OC(F)(F)F)C(=O)OCCO
InChIInChI=1S/C8H11F3O4/c1-2-3-6(15-8(9,10)11)7(13)14-5-4-12/h3,12H,2,4-5H2,1H3
InChIKeyMEYVFOAEZXTWKR-UHFFFAOYSA-N
XLogP1.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-hydroxyethyl 2-(trifluoromethoxy)pent-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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate (CID 173166390) is 2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate is CCC=C(OC(F)(F)F)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate?
The InChIKey is MEYVFOAEZXTWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O4/c1-2-3-6(15-8(9,10)11)7(13)14-5-4-12/h3,12H,2,4-5H2,1H3.
What are the key properties of 2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate?
2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate has a molecular weight of 228.17 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(trifluoromethoxy)pent-2-enoate is sourced from PubChem (CID 173166390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).