ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate

C14H15F3O3 — CID 134966492

IUPACethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate
SMILESC=C(CC(O)(C(=O)OCC)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H15F3O3/c1-3-20-12(18)13(19,14(15,16)17)9-10(2)11-7-5-4-6-8-11/h4-8,19H,2-3,9H2,1H3
InChIKeyZCFSHRWRZZIQOB-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.95
Rot. Bonds5

About ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate

ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate (PubChem CID 134966492) has the molecular formula C14H15F3O3 and a molecular weight of 288.26 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate
PubChem CID134966492
Molecular FormulaC14H15F3O3
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Nameethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate
SMILESC=C(CC(O)(C(=O)OCC)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H15F3O3/c1-3-20-12(18)13(19,14(15,16)17)9-10(2)11-7-5-4-6-8-11/h4-8,19H,2-3,9H2,1H3
InChIKeyZCFSHRWRZZIQOB-UHFFFAOYSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate?
The IUPAC name of ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate (CID 134966492) is ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate.
What is the SMILES notation for ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate?
The canonical SMILES for ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate is C=C(CC(O)(C(=O)OCC)C(F)(F)F)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate?
The InChIKey is ZCFSHRWRZZIQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O3/c1-3-20-12(18)13(19,14(15,16)17)9-10(2)11-7-5-4-6-8-11/h4-8,19H,2-3,9H2,1H3.
What are the key properties of ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate?
ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate has a molecular weight of 288.26 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-phenyl-2-(trifluoromethyl)pent-4-enoate is sourced from PubChem (CID 134966492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).