(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone

C11H3Br2F3OS — CID 107960219

IUPAC(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)cc1F)c1cc(Br)sc1Br
InChIInChI=1S/C11H3Br2F3OS/c12-9-2-5(11(13)18-9)10(17)4-1-7(15)8(16)3-6(4)14/h1-3H
InChIKeyNLKWPTPWXQVKQU-UHFFFAOYSA-N
MW400.01 g/mol
LogP4.92
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone

(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 107960219) has the molecular formula C11H3Br2F3OS and a molecular weight of 400.01 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
PubChem CID107960219
Molecular FormulaC11H3Br2F3OS
Molecular Weight400.01 g/mol
Exact Mass397.82
IUPAC Name(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)cc1F)c1cc(Br)sc1Br
InChIInChI=1S/C11H3Br2F3OS/c12-9-2-5(11(13)18-9)10(17)4-1-7(15)8(16)3-6(4)14/h1-3H
InChIKeyNLKWPTPWXQVKQU-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.01
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone
CID 114021061
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960074
(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344961
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81481188
(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 81266841
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 103298331
(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344984
(2,5-dibromothiophen-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107967908
(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344981
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960045

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone (CID 107960219) is (2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)cc1F)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is NLKWPTPWXQVKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Br2F3OS/c12-9-2-5(11(13)18-9)10(17)4-1-7(15)8(16)3-6(4)14/h1-3H.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone?
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 400.01 g/mol, XLogP of 4.92, 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)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 107960219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).