(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone

C12H4Br2F4OS — CID 80532481

IUPAC(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cc(Br)c(Br)s1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H4Br2F4OS/c13-7-4-9(20-11(7)14)10(19)6-3-5(12(16,17)18)1-2-8(6)15/h1-4H
InChIKeyHVYYYJYZPFJKEO-UHFFFAOYSA-N
MW432.03 g/mol
LogP5.66
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone

(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone (PubChem CID 80532481) has the molecular formula C12H4Br2F4OS and a molecular weight of 432.03 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
PubChem CID80532481
Molecular FormulaC12H4Br2F4OS
Molecular Weight432.03 g/mol
Exact Mass429.83
IUPAC Name(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cc(Br)c(Br)s1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H4Br2F4OS/c13-7-4-9(20-11(7)14)10(19)6-3-5(12(16,17)18)1-2-8(6)15/h1-4H
InChIKeyHVYYYJYZPFJKEO-UHFFFAOYSA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.03
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 102826500
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 80532521
(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 80534855
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
CID 80532703
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80532396
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586
(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 106764125
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 80536273
(5-amino-2-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79990962
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215
[2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone
CID 114970525

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone (CID 80532481) is (4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone is O=C(c1cc(Br)c(Br)s1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is HVYYYJYZPFJKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Br2F4OS/c13-7-4-9(20-11(7)14)10(19)6-3-5(12(16,17)18)1-2-8(6)15/h1-4H.
What are the key properties of (4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 432.03 g/mol, XLogP of 5.66, 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-fluoro-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 80532481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).