1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone

C10H8F4O3 — CID 53421351

IUPAC1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILESCC(=O)C1=CC2OC(F)(F)C(F)(F)OC2C=C1
InChIInChI=1S/C10H8F4O3/c1-5(15)6-2-3-7-8(4-6)17-10(13,14)9(11,12)16-7/h2-4,7-8H,1H3
InChIKeyDYZIETUIMWKZTC-UHFFFAOYSA-N
MW252.16 g/mol
LogP2.04
Rot. Bonds1

About 1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone

1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone (PubChem CID 53421351) has the molecular formula C10H8F4O3 and a molecular weight of 252.16 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone
PubChem CID53421351
Molecular FormulaC10H8F4O3
Molecular Weight252.16 g/mol
Exact Mass252.04
IUPAC Name1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILESCC(=O)C1=CC2OC(F)(F)C(F)(F)OC2C=C1
InChIInChI=1S/C10H8F4O3/c1-5(15)6-2-3-7-8(4-6)17-10(13,14)9(11,12)16-7/h2-4,7-8H,1H3
InChIKeyDYZIETUIMWKZTC-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone?
The IUPAC name of 1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone (CID 53421351) is 1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone?
The canonical SMILES for 1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone is CC(=O)C1=CC2OC(F)(F)C(F)(F)OC2C=C1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone?
The InChIKey is DYZIETUIMWKZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O3/c1-5(15)6-2-3-7-8(4-6)17-10(13,14)9(11,12)16-7/h2-4,7-8H,1H3.
What are the key properties of 1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone?
1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone has a molecular weight of 252.16 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoro-4a,8a-dihydro-1,4-benzodioxin-6-yl)ethanone is sourced from PubChem (CID 53421351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).