2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone

C10H3F7O2 — CID 14626963

IUPAC2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone
SMILESO=C(c1ccc2c(c1)C(F)(F)C(F)(F)O2)C(F)(F)F
InChIInChI=1S/C10H3F7O2/c11-8(12)5-3-4(7(18)9(13,14)15)1-2-6(5)19-10(8,16)17/h1-3H
InChIKeyJAKAMGHYWXRWKK-UHFFFAOYSA-N
MW288.12 g/mol
LogP3.51
Rot. Bonds1

About 2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone

2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone (PubChem CID 14626963) has the molecular formula C10H3F7O2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone
PubChem CID14626963
Molecular FormulaC10H3F7O2
Molecular Weight288.12 g/mol
Exact Mass288.00
IUPAC Name2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone
SMILESO=C(c1ccc2c(c1)C(F)(F)C(F)(F)O2)C(F)(F)F
InChIInChI=1S/C10H3F7O2/c11-8(12)5-3-4(7(18)9(13,14)15)1-2-6(5)19-10(8,16)17/h1-3H
InChIKeyJAKAMGHYWXRWKK-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone (CID 14626963) is 2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone is O=C(c1ccc2c(c1)C(F)(F)C(F)(F)O2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone?
The InChIKey is JAKAMGHYWXRWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F7O2/c11-8(12)5-3-4(7(18)9(13,14)15)1-2-6(5)19-10(8,16)17/h1-3H.
What are the key properties of 2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone?
2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone has a molecular weight of 288.12 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 14626963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).