(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone

C12H7Br2FO2S — CID 80536273

IUPAC(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)c(Br)s2)c(F)c1
InChIInChI=1S/C12H7Br2FO2S/c1-17-6-2-3-7(9(15)4-6)11(16)10-5-8(13)12(14)18-10/h2-5H,1H3
InChIKeyCRTZSQZYIVJGRD-UHFFFAOYSA-N
MW394.06 g/mol
LogP4.65
Rot. Bonds3

About (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone

(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 80536273) has the molecular formula C12H7Br2FO2S and a molecular weight of 394.06 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID80536273
Molecular FormulaC12H7Br2FO2S
Molecular Weight394.06 g/mol
Exact Mass391.85
IUPAC Name(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)c(Br)s2)c(F)c1
InChIInChI=1S/C12H7Br2FO2S/c1-17-6-2-3-7(9(15)4-6)11(16)10-5-8(13)12(14)18-10/h2-5H,1H3
InChIKeyCRTZSQZYIVJGRD-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882279
(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79982159
(2-fluoro-4-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43561064
(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 81304337
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 80534855
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 106764125

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 80536273) is (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Br)c(Br)s2)c(F)c1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is CRTZSQZYIVJGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FO2S/c1-17-6-2-3-7(9(15)4-6)11(16)10-5-8(13)12(14)18-10/h2-5H,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 394.06 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 80536273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).