(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone

C15H6BrF3O2 — CID 107538000

IUPAC(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2o1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H6BrF3O2/c16-13-9(2-3-10(18)14(13)19)15(20)12-6-7-5-8(17)1-4-11(7)21-12/h1-6H
InChIKeyLNEYLFMSZGGSBZ-UHFFFAOYSA-N
MW355.11 g/mol
LogP4.84
Rot. Bonds2

About (2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone

(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 107538000) has the molecular formula C15H6BrF3O2 and a molecular weight of 355.11 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
PubChem CID107538000
Molecular FormulaC15H6BrF3O2
Molecular Weight355.11 g/mol
Exact Mass353.95
IUPAC Name(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2o1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H6BrF3O2/c16-13-9(2-3-10(18)14(13)19)15(20)12-6-7-5-8(17)1-4-11(7)21-12/h1-6H
InChIKeyLNEYLFMSZGGSBZ-UHFFFAOYSA-N
XLogP4.84
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.11
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114726080
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone (CID 107538000) is (2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cc2cc(F)ccc2o1)c1ccc(F)c(F)c1Br.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is LNEYLFMSZGGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6BrF3O2/c16-13-9(2-3-10(18)14(13)19)15(20)12-6-7-5-8(17)1-4-11(7)21-12/h1-6H.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 355.11 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 107538000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).