2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone

C10H5F3O2 — CID 114726024

IUPAC2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
SMILESO=C(c1cc2cc(F)ccc2o1)C(F)F
InChIInChI=1S/C10H5F3O2/c11-6-1-2-7-5(3-6)4-8(15-7)9(14)10(12)13/h1-4,10H
InChIKeyMEFMFTIATRKLJR-UHFFFAOYSA-N
MW214.14 g/mol
LogP3.02
Rot. Bonds2

About 2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone

2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone (PubChem CID 114726024) has the molecular formula C10H5F3O2 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
PubChem CID114726024
Molecular FormulaC10H5F3O2
Molecular Weight214.14 g/mol
Exact Mass214.02
IUPAC Name2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
SMILESO=C(c1cc2cc(F)ccc2o1)C(F)F
InChIInChI=1S/C10H5F3O2/c11-6-1-2-7-5(3-6)4-8(15-7)9(14)10(12)13/h1-4,10H
InChIKeyMEFMFTIATRKLJR-UHFFFAOYSA-N
XLogP3.02
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one
CID 114736896
2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114038355
2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one
CID 114737121
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
(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone
CID 114725249
(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725837
[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114737162
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone (CID 114726024) is 2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone is O=C(c1cc2cc(F)ccc2o1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
The InChIKey is MEFMFTIATRKLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O2/c11-6-1-2-7-5(3-6)4-8(15-7)9(14)10(12)13/h1-4,10H.
What are the key properties of 2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone has a molecular weight of 214.14 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114726024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).