(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone

C12H7Br2FOS — CID 81481188

IUPAC(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(Br)sc2Br)c1F
InChIInChI=1S/C12H7Br2FOS/c1-6-3-2-4-7(10(6)15)11(16)8-5-9(13)17-12(8)14/h2-5H,1H3
InChIKeyUCUYSFUPYMHHAL-UHFFFAOYSA-N
MW378.06 g/mol
LogP4.95
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone

(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81481188) has the molecular formula C12H7Br2FOS and a molecular weight of 378.06 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
PubChem CID81481188
Molecular FormulaC12H7Br2FOS
Molecular Weight378.06 g/mol
Exact Mass375.86
IUPAC Name(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(Br)sc2Br)c1F
InChIInChI=1S/C12H7Br2FOS/c1-6-3-2-4-7(10(6)15)11(16)8-5-9(13)17-12(8)14/h2-5H,1H3
InChIKeyUCUYSFUPYMHHAL-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 81266841
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 103298331
(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone
CID 114021061
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479635
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960074
(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960063
(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methanone
CID 107981713
(2,5-dibromothiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107967866
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960045
(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344981
(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone (CID 81481188) is (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone is Cc1cccc(C(=O)c2cc(Br)sc2Br)c1F.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is UCUYSFUPYMHHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FOS/c1-6-3-2-4-7(10(6)15)11(16)8-5-9(13)17-12(8)14/h2-5H,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone?
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 378.06 g/mol, XLogP of 4.95, 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-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81481188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).