1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone

C10H4BrF3O2 — CID 71301977

IUPAC1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1cc2cc(Br)ccc2o1)C(F)(F)F
InChIInChI=1S/C10H4BrF3O2/c11-6-1-2-7-5(3-6)4-8(16-7)9(15)10(12,13)14/h1-4H
InChIKeyPIDJQWJKUUOPBA-UHFFFAOYSA-N
MW293.04 g/mol
LogP3.94
Rot. Bonds1

About 1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone

1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone (PubChem CID 71301977) has the molecular formula C10H4BrF3O2 and a molecular weight of 293.04 g/mol. Its IUPAC name is 1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone
PubChem CID71301977
Molecular FormulaC10H4BrF3O2
Molecular Weight293.04 g/mol
Exact Mass291.93
IUPAC Name1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1cc2cc(Br)ccc2o1)C(F)(F)F
InChIInChI=1S/C10H4BrF3O2/c11-6-1-2-7-5(3-6)4-8(16-7)9(15)10(12,13)14/h1-4H
InChIKeyPIDJQWJKUUOPBA-UHFFFAOYSA-N
XLogP3.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
(5-bromo-1-benzofuran-2-yl)-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]methanone
CID 97013168
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114038355
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
1-(5-bromo-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-one
CID 170859266
(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
CID 43822479
1-(5-bromo-1-benzofuran-2-yl)-3-cyclopropylpropane-1,3-dione
CID 63319557
N-[3-(aminomethyl)pentan-3-yl]-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119568785
2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-2-methylbutanoic acid
CID 119198892
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone (CID 71301977) is 1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone is O=C(c1cc2cc(Br)ccc2o1)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is PIDJQWJKUUOPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF3O2/c11-6-1-2-7-5(3-6)4-8(16-7)9(15)10(12,13)14/h1-4H.
What are the key properties of 1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone?
1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 293.04 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 71301977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).