(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone

C12H5Br2F3OS — CID 43344981

IUPAC(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C12H5Br2F3OS/c13-9-5-7(11(14)19-9)10(18)6-3-1-2-4-8(6)12(15,16)17/h1-5H
InChIKeyTUQZBBKWGKLAGD-UHFFFAOYSA-N
MW414.04 g/mol
LogP5.52
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone

(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 43344981) has the molecular formula C12H5Br2F3OS and a molecular weight of 414.04 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID43344981
Molecular FormulaC12H5Br2F3OS
Molecular Weight414.04 g/mol
Exact Mass411.84
IUPAC Name(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C12H5Br2F3OS/c13-9-5-7(11(14)19-9)10(18)6-3-1-2-4-8(6)12(15,16)17/h1-5H
InChIKeyTUQZBBKWGKLAGD-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.04
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107967908
(2,5-dibromothiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107967866
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81481188
(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 106856635
(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 81266841
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114329543
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 12630812
(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43338883
(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960063

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 43344981) is (2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is TUQZBBKWGKLAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br2F3OS/c13-9-5-7(11(14)19-9)10(18)6-3-1-2-4-8(6)12(15,16)17/h1-5H.
What are the key properties of (2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 414.04 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 43344981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).