1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C9H11F3O3 — CID 103214355

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=COCCC1
InChIInChI=1S/C9H11F3O3/c10-9(11,12)6-15-5-8(13)7-2-1-3-14-4-7/h4H,1-3,5-6H2
InChIKeyUVOSEQPMBCMPLA-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.83
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214355) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214355
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=COCCC1
InChIInChI=1S/C9H11F3O3/c10-9(11,12)6-15-5-8(13)7-2-1-3-14-4-7/h4H,1-3,5-6H2
InChIKeyUVOSEQPMBCMPLA-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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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one
CID 3762402
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethan-1-one
CID 104058466
1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146866
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
CID 103147160
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 103473685
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoropropan-1-one
CID 104058260
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluorobutan-1-one
CID 104058410
1-(3,4-dihydro-2H-pyran-5-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 108053292
1-(3,4-dihydro-2H-pyran-5-yl)-2-methoxyethanone
CID 104058264
1-(3,4-dihydro-2H-pyran-5-yl)-2-propoxyethanone
CID 104058274
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxyethanone
CID 104058362
1-(3,4-dihydro-2H-pyran-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105127391

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214355) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is UVOSEQPMBCMPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3/c10-9(11,12)6-15-5-8(13)7-2-1-3-14-4-7/h4H,1-3,5-6H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(3,4-dihydro-2H-pyran-5-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-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).