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

C10H12F4O3 — CID 103473685

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)C1=COCCC1
InChIInChI=1S/C10H12F4O3/c11-9(12)10(13,14)6-17-5-8(15)7-2-1-3-16-4-7/h4,9H,1-3,5-6H2
InChIKeyZKTAUZGFIWSYEI-UHFFFAOYSA-N
MW256.19 g/mol
LogP2.17
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 103473685) has the molecular formula C10H12F4O3 and a molecular weight of 256.19 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID103473685
Molecular FormulaC10H12F4O3
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)C1=COCCC1
InChIInChI=1S/C10H12F4O3/c11-9(12)10(13,14)6-17-5-8(15)7-2-1-3-16-4-7/h4,9H,1-3,5-6H2
InChIKeyZKTAUZGFIWSYEI-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethan-1-one
CID 104058466
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214355
4-Methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473680
5-Methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one
CID 103473788
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoropropan-1-one
CID 104058260
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)-2,2,3,3,3-pentafluoropropan-1-one
CID 108096002
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
1-(3,4-dihydro-2H-pyran-5-yl)-2-propan-2-yloxyethanone
CID 105127438

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 103473685) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is O=C(COCC(F)(F)C(F)F)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is ZKTAUZGFIWSYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O3/c11-9(12)10(13,14)6-17-5-8(15)7-2-1-3-16-4-7/h4,9H,1-3,5-6H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 256.19 g/mol, XLogP of 2.17, 6 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-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 103473685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).