(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C15H10BrFO2 — CID 115814281

IUPAC(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cccc(F)c1Br)c1cccc2c1OCC2
InChIInChI=1S/C15H10BrFO2/c16-13-10(4-2-6-12(13)17)14(18)11-5-1-3-9-7-8-19-15(9)11/h1-6H,7-8H2
InChIKeyZDPOSFBGZPZAEJ-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.75
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 115814281) has the molecular formula C15H10BrFO2 and a molecular weight of 321.15 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID115814281
Molecular FormulaC15H10BrFO2
Molecular Weight321.15 g/mol
Exact Mass319.98
IUPAC Name(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cccc(F)c1Br)c1cccc2c1OCC2
InChIInChI=1S/C15H10BrFO2/c16-13-10(4-2-6-12(13)17)14(18)11-5-1-3-9-7-8-19-15(9)11/h1-6H,7-8H2
InChIKeyZDPOSFBGZPZAEJ-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114025606
(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107967846
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744119
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652727
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
CID 115811189
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 115814281) is (2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is O=C(c1cccc(F)c1Br)c1cccc2c1OCC2.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is ZDPOSFBGZPZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO2/c16-13-10(4-2-6-12(13)17)14(18)11-5-1-3-9-7-8-19-15(9)11/h1-6H,7-8H2.
What are the key properties of (2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 321.15 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 115814281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).