(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone

C13H9BrF2OS — CID 102826513

IUPAC(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(Br)c(C)s2)c(F)cc1F
InChIInChI=1S/C13H9BrF2OS/c1-6-3-8(11(16)5-10(6)15)13(17)12-4-9(14)7(2)18-12/h3-5H,1-2H3
InChIKeyCONBBIIWXUMUNS-UHFFFAOYSA-N
MW331.18 g/mol
LogP4.64
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone

(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone (PubChem CID 102826513) has the molecular formula C13H9BrF2OS and a molecular weight of 331.18 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
PubChem CID102826513
Molecular FormulaC13H9BrF2OS
Molecular Weight331.18 g/mol
Exact Mass329.95
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(Br)c(C)s2)c(F)cc1F
InChIInChI=1S/C13H9BrF2OS/c1-6-3-8(11(16)5-10(6)15)13(17)12-4-9(14)7(2)18-12/h3-5H,1-2H3
InChIKeyCONBBIIWXUMUNS-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 79732770
2-(4-bromo-5-methylthiophene-2-carbonyl)-4,5-difluorobenzoic acid
CID 102826968
(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 102826500
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(4-bromo-5-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanone
CID 102826512
(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79732183
(5-amino-2,4-difluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 80534855
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
2-bromo-4-fluoro-5-methylbenzamide
CID 131582369
(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone
CID 114021061
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102707053

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone (CID 102826513) is (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone is Cc1cc(C(=O)c2cc(Br)c(C)s2)c(F)cc1F.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone?
The InChIKey is CONBBIIWXUMUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2OS/c1-6-3-8(11(16)5-10(6)15)13(17)12-4-9(14)7(2)18-12/h3-5H,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone?
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone has a molecular weight of 331.18 g/mol, XLogP of 4.64, 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)-(2,4-difluoro-5-methylphenyl)methanone is sourced from PubChem (CID 102826513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).