1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone

C9H11F3O3 — CID 15537474

IUPAC1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone
SMILESCCOC1CCC(C(=O)C(F)(F)F)=CO1
InChIInChI=1S/C9H11F3O3/c1-2-14-7-4-3-6(5-15-7)8(13)9(10,11)12/h5,7H,2-4H2,1H3
InChIKeyHYLDDNKJFSARRI-UHFFFAOYSA-N
MW224.18 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone

1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone (PubChem CID 15537474) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone
PubChem CID15537474
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone
SMILESCCOC1CCC(C(=O)C(F)(F)F)=CO1
InChIInChI=1S/C9H11F3O3/c1-2-14-7-4-3-6(5-15-7)8(13)9(10,11)12/h5,7H,2-4H2,1H3
InChIKeyHYLDDNKJFSARRI-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone (CID 15537474) is 1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone is CCOC1CCC(C(=O)C(F)(F)F)=CO1.
What is the InChIKey of 1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone?
The InChIKey is HYLDDNKJFSARRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3/c1-2-14-7-4-3-6(5-15-7)8(13)9(10,11)12/h5,7H,2-4H2,1H3.
What are the key properties of 1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone?
1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone has a molecular weight of 224.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 15537474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).