1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C9H11F3O3 — CID 103214457

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C9H11F3O3/c10-9(11,12)6-14-5-7(13)8-3-1-2-4-15-8/h3H,1-2,4-6H2
InChIKeyTZNVICHKGVUPRJ-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.83
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214457) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214457
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C9H11F3O3/c10-9(11,12)6-14-5-7(13)8-3-1-2-4-15-8/h3H,1-2,4-6H2
InChIKeyTZNVICHKGVUPRJ-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214457) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is TZNVICHKGVUPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3/c10-9(11,12)6-14-5-7(13)8-3-1-2-4-15-8/h3H,1-2,4-6H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 224.18 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).