1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C8H9F3O3 — CID 103214459

IUPAC1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C8H9F3O3/c9-8(10,11)5-13-4-6(12)7-2-1-3-14-7/h2H,1,3-5H2
InChIKeyMJZDRCKEBLZFAF-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.44
Rot. Bonds4

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

1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214459) has the molecular formula C8H9F3O3 and a molecular weight of 210.15 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214459
Molecular FormulaC8H9F3O3
Molecular Weight210.15 g/mol
Exact Mass210.05
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C8H9F3O3/c9-8(10,11)5-13-4-6(12)7-2-1-3-14-7/h2H,1,3-5H2
InChIKeyMJZDRCKEBLZFAF-UHFFFAOYSA-N
XLogP1.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214459) is 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is MJZDRCKEBLZFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O3/c9-8(10,11)5-13-4-6(12)7-2-1-3-14-7/h2H,1,3-5H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 210.15 g/mol, XLogP of 1.44, 4 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)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).