4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene

C12H19F3O3 — CID 144742153

IUPAC4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene
SMILESC=CCC(OCC(=C)C(OC)OCC)C(F)(F)F
InChIInChI=1S/C12H19F3O3/c1-5-7-10(12(13,14)15)18-8-9(3)11(16-4)17-6-2/h5,10-11H,1,3,6-8H2,2,4H3
InChIKeyWNZAQWASNFSYPG-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.08
Rot. Bonds9

About 4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene

4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene (PubChem CID 144742153) has the molecular formula C12H19F3O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene.

Molecular Properties

Compound Name4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene
PubChem CID144742153
Molecular FormulaC12H19F3O3
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Name4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene
SMILESC=CCC(OCC(=C)C(OC)OCC)C(F)(F)F
InChIInChI=1S/C12H19F3O3/c1-5-7-10(12(13,14)15)18-8-9(3)11(16-4)17-6-2/h5,10-11H,1,3,6-8H2,2,4H3
InChIKeyWNZAQWASNFSYPG-UHFFFAOYSA-N
XLogP3.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene?
The IUPAC name of 4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene (CID 144742153) is 4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene.
What is the SMILES notation for 4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene?
The canonical SMILES for 4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene is C=CCC(OCC(=C)C(OC)OCC)C(F)(F)F.
What is the InChIKey of 4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene?
The InChIKey is WNZAQWASNFSYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O3/c1-5-7-10(12(13,14)15)18-8-9(3)11(16-4)17-6-2/h5,10-11H,1,3,6-8H2,2,4H3.
What are the key properties of 4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene?
4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene has a molecular weight of 268.27 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene is sourced from PubChem (CID 144742153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).