3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one

C10H14F2O3 — CID 103147160

IUPAC3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
SMILESO=C(CCOCC(F)F)C1=COCCC1
InChIInChI=1S/C10H14F2O3/c11-10(12)7-15-5-3-9(13)8-2-1-4-14-6-8/h6,10H,1-5,7H2
InChIKeyIIDUSTJALOCEHH-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.92
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one

3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one (PubChem CID 103147160) has the molecular formula C10H14F2O3 and a molecular weight of 220.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
PubChem CID103147160
Molecular FormulaC10H14F2O3
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
SMILESO=C(CCOCC(F)F)C1=COCCC1
InChIInChI=1S/C10H14F2O3/c11-10(12)7-15-5-3-9(13)8-2-1-4-14-6-8/h6,10H,1-5,7H2
InChIKeyIIDUSTJALOCEHH-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
2,2,2-Trifluoro-1-(4,5,6,7-tetrahydrooxepin-3-yl)ethan-1-one
CID 45080877
5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-one
CID 103146851
1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146866
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-one
CID 103147013
1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-one
CID 103147143
1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-one
CID 103147351
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214355
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311567
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one (CID 103147160) is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one is O=C(CCOCC(F)F)C1=COCCC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
The InChIKey is IIDUSTJALOCEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O3/c11-10(12)7-15-5-3-9(13)8-2-1-4-14-6-8/h6,10H,1-5,7H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one has a molecular weight of 220.21 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one is sourced from PubChem (CID 103147160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).