ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate

C10H13F3O3 — CID 58333155

IUPACethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate
SMILESC=CCOC(C=C)(C(=O)OCC)C(F)(F)F
InChIInChI=1S/C10H13F3O3/c1-4-7-16-9(5-2,10(11,12)13)8(14)15-6-3/h4-5H,1-2,6-7H2,3H3
InChIKeyQEEWPDUYQQOKDY-UHFFFAOYSA-N
MW238.20 g/mol
LogP2.24
Rot. Bonds6

About ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate

ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate (PubChem CID 58333155) has the molecular formula C10H13F3O3 and a molecular weight of 238.20 g/mol. Its IUPAC name is ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate.

Molecular Properties

Compound Nameethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate
PubChem CID58333155
Molecular FormulaC10H13F3O3
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Nameethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate
SMILESC=CCOC(C=C)(C(=O)OCC)C(F)(F)F
InChIInChI=1S/C10H13F3O3/c1-4-7-16-9(5-2,10(11,12)13)8(14)15-6-3/h4-5H,1-2,6-7H2,3H3
InChIKeyQEEWPDUYQQOKDY-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
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 ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate?
The IUPAC name of ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate (CID 58333155) is ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate.
What is the SMILES notation for ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate?
The canonical SMILES for ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate is C=CCOC(C=C)(C(=O)OCC)C(F)(F)F.
What is the InChIKey of ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate?
The InChIKey is QEEWPDUYQQOKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O3/c1-4-7-16-9(5-2,10(11,12)13)8(14)15-6-3/h4-5H,1-2,6-7H2,3H3.
What are the key properties of ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate?
ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate has a molecular weight of 238.20 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-prop-2-enoxy-2-(trifluoromethyl)but-3-enoate is sourced from PubChem (CID 58333155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).