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

C9H12F3NO2 — CID 102648414

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)6-13-5-7(14)8-3-1-2-4-15-8/h3,13H,1-2,4-6H2
InChIKeyQFHQIKWIQAXWPH-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.40
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 102648414) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID102648414
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)6-13-5-7(14)8-3-1-2-4-15-8/h3,13H,1-2,4-6H2
InChIKeyQFHQIKWIQAXWPH-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-Dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 102652538
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)ethan-1-one
CID 84020971
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
2-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648294
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648298
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
CID 102648322
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propylamino)ethanone
CID 102648323
2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648415
1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-ynylamino)ethanone
CID 102648417
1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-enylamino)ethanone
CID 102648418
1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methoxyethylamino)ethanone
CID 102648424

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 102648414) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is QFHQIKWIQAXWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)6-13-5-7(14)8-3-1-2-4-15-8/h3,13H,1-2,4-6H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 223.19 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 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-trifluoroethylamino)ethanone is sourced from PubChem (CID 102648414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).