prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate

C8H10F4O3 — CID 175122946

IUPACprop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate
SMILESC=CCOC(=O)C(F)(C(C)O)C(F)(F)F
InChIInChI=1S/C8H10F4O3/c1-3-4-15-6(14)7(9,5(2)13)8(10,11)12/h3,5,13H,1,4H2,2H3
InChIKeyKHTSSCVEQHMLAJ-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.37
Rot. Bonds4

About prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate

prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate (PubChem CID 175122946) has the molecular formula C8H10F4O3 and a molecular weight of 230.16 g/mol. Its IUPAC name is prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate
PubChem CID175122946
Molecular FormulaC8H10F4O3
Molecular Weight230.16 g/mol
Exact Mass230.06
IUPAC Nameprop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate
SMILESC=CCOC(=O)C(F)(C(C)O)C(F)(F)F
InChIInChI=1S/C8H10F4O3/c1-3-4-15-6(14)7(9,5(2)13)8(10,11)12/h3,5,13H,1,4H2,2H3
InChIKeyKHTSSCVEQHMLAJ-UHFFFAOYSA-N
XLogP1.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate 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-3-hydroxy-2-(trifluoromethyl)butanoate?
The IUPAC name of prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate (CID 175122946) is prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate.
What is the SMILES notation for prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate?
The canonical SMILES for prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate is C=CCOC(=O)C(F)(C(C)O)C(F)(F)F.
What is the InChIKey of prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate?
The InChIKey is KHTSSCVEQHMLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O3/c1-3-4-15-6(14)7(9,5(2)13)8(10,11)12/h3,5,13H,1,4H2,2H3.
What are the key properties of prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate?
prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate has a molecular weight of 230.16 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-fluoro-3-hydroxy-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 175122946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).