2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one

C11H4F6O2 — CID 114038355

IUPAC2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
SMILESO=C(c1cc2cc(F)ccc2o1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F6O2/c12-6-1-2-7-5(3-6)4-8(19-7)9(18)10(13,14)11(15,16)17/h1-4H
InChIKeyFBCXDSBVGCBVBG-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.95
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one

2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one (PubChem CID 114038355) has the molecular formula C11H4F6O2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
PubChem CID114038355
Molecular FormulaC11H4F6O2
Molecular Weight282.14 g/mol
Exact Mass282.01
IUPAC Name2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
SMILESO=C(c1cc2cc(F)ccc2o1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F6O2/c12-6-1-2-7-5(3-6)4-8(19-7)9(18)10(13,14)11(15,16)17/h1-4H
InChIKeyFBCXDSBVGCBVBG-UHFFFAOYSA-N
XLogP3.95
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one with MolForge

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Related Compounds

2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 114726166
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone
CID 71301977
N-(4-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxamide
CID 78843309
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114736180
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114737162
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one (CID 114038355) is 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one is O=C(c1cc2cc(F)ccc2o1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one?
The InChIKey is FBCXDSBVGCBVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F6O2/c12-6-1-2-7-5(3-6)4-8(19-7)9(18)10(13,14)11(15,16)17/h1-4H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one?
2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one has a molecular weight of 282.14 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 114038355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).