(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone

C11H4Br2Cl2OS — CID 80532703

IUPAC(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H4Br2Cl2OS/c12-7-4-9(17-11(7)13)10(16)6-3-5(14)1-2-8(6)15/h1-4H
InChIKeyYYQQKAGBTVYEDD-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.81
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone

(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone (PubChem CID 80532703) has the molecular formula C11H4Br2Cl2OS and a molecular weight of 414.93 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
PubChem CID80532703
Molecular FormulaC11H4Br2Cl2OS
Molecular Weight414.93 g/mol
Exact Mass411.77
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H4Br2Cl2OS/c12-7-4-9(17-11(7)13)10(16)6-3-5(14)1-2-8(6)15/h1-4H
InChIKeyYYQQKAGBTVYEDD-UHFFFAOYSA-N
XLogP5.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 106764125
(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 80531615
[(2,4-dichlorobenzoyl)amino] 4,5-dibromothiophene-2-carboxylate
CID 57112508
(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 80532481
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 104544748
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586
6-chloro-5-(4,5-dibromothiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 80536252
(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 80534855
(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone
CID 80532446
(4-chloro-2-methylphenyl) 4,5-dibromothiophene-2-carboxylate
CID 19205225
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 80536273

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone (CID 80532703) is (4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone is O=C(c1cc(Br)c(Br)s1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone?
The InChIKey is YYQQKAGBTVYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2Cl2OS/c12-7-4-9(17-11(7)13)10(16)6-3-5(14)1-2-8(6)15/h1-4H.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone?
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone has a molecular weight of 414.93 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 80532703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).