(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone

C12H7BrClFOS — CID 82875843

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(F)c(Cl)c2)sc1Br
InChIInChI=1S/C12H7BrClFOS/c1-6-4-10(17-12(6)13)11(16)7-2-3-9(15)8(14)5-7/h2-5H,1H3
InChIKeyOGUBXMJZAHDRLL-UHFFFAOYSA-N
MW333.61 g/mol
LogP4.84
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone

(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone (PubChem CID 82875843) has the molecular formula C12H7BrClFOS and a molecular weight of 333.61 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
PubChem CID82875843
Molecular FormulaC12H7BrClFOS
Molecular Weight333.61 g/mol
Exact Mass331.91
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(F)c(Cl)c2)sc1Br
InChIInChI=1S/C12H7BrClFOS/c1-6-4-10(17-12(6)13)11(16)7-2-3-9(15)8(14)5-7/h2-5H,1H3
InChIKeyOGUBXMJZAHDRLL-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79997568
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 80531678
(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
CID 79982080
(5-bromo-4-methylthiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79997059
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79987282
(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 82875204
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(5-amino-2-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79990962
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(5-bromo-4-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanone
CID 80530149

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone (CID 82875843) is (5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone is Cc1cc(C(=O)c2ccc(F)c(Cl)c2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone?
The InChIKey is OGUBXMJZAHDRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFOS/c1-6-4-10(17-12(6)13)11(16)7-2-3-9(15)8(14)5-7/h2-5H,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone has a molecular weight of 333.61 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone is sourced from PubChem (CID 82875843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).