(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone

C13H6BrFO2S — CID 115809899

IUPAC(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cccc(F)c2o1)c1sccc1Br
InChIInChI=1S/C13H6BrFO2S/c14-8-4-5-18-13(8)11(16)10-6-7-2-1-3-9(15)12(7)17-10/h1-6H
InChIKeyMAURUDVUCQQLHA-UHFFFAOYSA-N
MW325.16 g/mol
LogP4.63
Rot. Bonds2

About (3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone

(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 115809899) has the molecular formula C13H6BrFO2S and a molecular weight of 325.16 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID115809899
Molecular FormulaC13H6BrFO2S
Molecular Weight325.16 g/mol
Exact Mass323.93
IUPAC Name(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cccc(F)c2o1)c1sccc1Br
InChIInChI=1S/C13H6BrFO2S/c14-8-4-5-18-13(8)11(16)10-6-7-2-1-3-9(15)12(7)17-10/h1-6H
InChIKeyMAURUDVUCQQLHA-UHFFFAOYSA-N
XLogP4.63
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
CID 114725192
(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone
CID 115810047
(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115810045
4-chloro-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114725511
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114725645
(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
CID 115957451

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone (CID 115809899) is (3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cc2cccc(F)c2o1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is MAURUDVUCQQLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrFO2S/c14-8-4-5-18-13(8)11(16)10-6-7-2-1-3-9(15)12(7)17-10/h1-6H.
What are the key properties of (3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone?
(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 325.16 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115809899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).