(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone

C11H4Br2ClFOS — CID 80531586

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
SMILESO=C(c1cc(Cl)c(Br)s1)c1cc(Br)ccc1F
InChIInChI=1S/C11H4Br2ClFOS/c12-5-1-2-8(15)6(3-5)10(16)9-4-7(14)11(13)17-9/h1-4H
InChIKeyPXCYLRRPADJAGL-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.30
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone (PubChem CID 80531586) has the molecular formula C11H4Br2ClFOS and a molecular weight of 398.48 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
PubChem CID80531586
Molecular FormulaC11H4Br2ClFOS
Molecular Weight398.48 g/mol
Exact Mass395.80
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
SMILESO=C(c1cc(Cl)c(Br)s1)c1cc(Br)ccc1F
InChIInChI=1S/C11H4Br2ClFOS/c12-5-1-2-8(15)6(3-5)10(16)9-4-7(14)11(13)17-9/h1-4H
InChIKeyPXCYLRRPADJAGL-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479635
(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 61103389
(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 80531615
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-4-chlorothiophen-2-yl)methanone
CID 107874198
(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 80531762
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
CID 80532703
(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone
CID 102826777
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(5-bromo-4-chlorothiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 80532463
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
CID 80531818

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone (CID 80531586) is (5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone is O=C(c1cc(Cl)c(Br)s1)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone?
The InChIKey is PXCYLRRPADJAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2ClFOS/c12-5-1-2-8(15)6(3-5)10(16)9-4-7(14)11(13)17-9/h1-4H.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone has a molecular weight of 398.48 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 80531586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).