(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone

C13H7BrF4OS — CID 102826500

IUPAC(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
SMILESCc1sc(C(=O)c2cc(C(F)(F)F)ccc2F)cc1Br
InChIInChI=1S/C13H7BrF4OS/c1-6-9(14)5-11(20-6)12(19)8-4-7(13(16,17)18)2-3-10(8)15/h2-5H,1H3
InChIKeyDHRHBXPINQWJLT-UHFFFAOYSA-N
MW367.16 g/mol
LogP5.21
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone

(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone (PubChem CID 102826500) has the molecular formula C13H7BrF4OS and a molecular weight of 367.16 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
PubChem CID102826500
Molecular FormulaC13H7BrF4OS
Molecular Weight367.16 g/mol
Exact Mass365.93
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
SMILESCc1sc(C(=O)c2cc(C(F)(F)F)ccc2F)cc1Br
InChIInChI=1S/C13H7BrF4OS/c1-6-9(14)5-11(20-6)12(19)8-4-7(13(16,17)18)2-3-10(8)15/h2-5H,1H3
InChIKeyDHRHBXPINQWJLT-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.16
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 80532481
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102826513
2-(4-bromo-5-methylthiophene-2-carbonyl)-4,5-difluorobenzoic acid
CID 102826968
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464
(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone
CID 102826512
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102827186
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(4-bromo-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102826619
(5-amino-2-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79990962
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone (CID 102826500) is (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone is Cc1sc(C(=O)c2cc(C(F)(F)F)ccc2F)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
The InChIKey is DHRHBXPINQWJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4OS/c1-6-9(14)5-11(20-6)12(19)8-4-7(13(16,17)18)2-3-10(8)15/h2-5H,1H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone?
(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone has a molecular weight of 367.16 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102826500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).