prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate

C10H13F3O3 — CID 87126475

IUPACprop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate
SMILESC=CCOC(=O)C(O)(C=C(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3O3/c1-4-5-16-8(14)9(15,6-7(2)3)10(11,12)13/h4,6,15H,1,5H2,2-3H3
InChIKeyIFGHCMMEUAOIIZ-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.98
Rot. Bonds4

About prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate

prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate (PubChem CID 87126475) has the molecular formula C10H13F3O3 and a molecular weight of 238.20 g/mol. Its IUPAC name is prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate
PubChem CID87126475
Molecular FormulaC10H13F3O3
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Nameprop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate
SMILESC=CCOC(=O)C(O)(C=C(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3O3/c1-4-5-16-8(14)9(15,6-7(2)3)10(11,12)13/h4,6,15H,1,5H2,2-3H3
InChIKeyIFGHCMMEUAOIIZ-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate?
The IUPAC name of prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate (CID 87126475) is prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate.
What is the SMILES notation for prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate?
The canonical SMILES for prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate is C=CCOC(=O)C(O)(C=C(C)C)C(F)(F)F.
What is the InChIKey of prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate?
The InChIKey is IFGHCMMEUAOIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O3/c1-4-5-16-8(14)9(15,6-7(2)3)10(11,12)13/h4,6,15H,1,5H2,2-3H3.
What are the key properties of prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate?
prop-2-enyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate has a molecular weight of 238.20 g/mol, XLogP of 1.98, 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-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enoate is sourced from PubChem (CID 87126475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).