1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

C9H11F3O3 — CID 103146941

IUPAC1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C9H11F3O3/c10-9(11,12)6-14-5-3-7(13)8-2-1-4-15-8/h2H,1,3-6H2
InChIKeyXLQIYTSLRUWGNB-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.83
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103146941) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103146941
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C9H11F3O3/c10-9(11,12)6-14-5-3-7(13)8-2-1-4-15-8/h2H,1,3-6H2
InChIKeyXLQIYTSLRUWGNB-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103146941) is 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is O=C(CCOCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is XLQIYTSLRUWGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3/c10-9(11,12)6-14-5-3-7(13)8-2-1-4-15-8/h2H,1,3-6H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 224.18 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103146941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).