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

C10H13F3O3 — CID 103146866

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)C1=COCCC1
InChIInChI=1S/C10H13F3O3/c11-10(12,13)7-16-5-3-9(14)8-2-1-4-15-6-8/h6H,1-5,7H2
InChIKeyLDRDSEAIPSOBNW-UHFFFAOYSA-N
MW238.20 g/mol
LogP2.22
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103146866) has the molecular formula C10H13F3O3 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103146866
Molecular FormulaC10H13F3O3
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)C1=COCCC1
InChIInChI=1S/C10H13F3O3/c11-10(12,13)7-16-5-3-9(14)8-2-1-4-15-6-8/h6H,1-5,7H2
InChIKeyLDRDSEAIPSOBNW-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 52.22
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
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-one
CID 103147013
1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-one
CID 103147143
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
CID 103147160
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 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103146866) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is O=C(CCOCC(F)(F)F)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is LDRDSEAIPSOBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O3/c11-10(12,13)7-16-5-3-9(14)8-2-1-4-15-6-8/h6H,1-5,7H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 238.20 g/mol, XLogP of 2.22, 5 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)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103146866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).