(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone

C12H6Br2F2OS — CID 114021061

IUPAC(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone
SMILESCc1cc(F)c(C(=O)c2cc(Br)sc2Br)cc1F
InChIInChI=1S/C12H6Br2F2OS/c1-5-2-9(16)6(3-8(5)15)11(17)7-4-10(13)18-12(7)14/h2-4H,1H3
InChIKeyCVFUPIKEENQZBF-UHFFFAOYSA-N
MW396.05 g/mol
LogP5.09
Rot. Bonds2

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

(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone (PubChem CID 114021061) has the molecular formula C12H6Br2F2OS and a molecular weight of 396.05 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone
PubChem CID114021061
Molecular FormulaC12H6Br2F2OS
Molecular Weight396.05 g/mol
Exact Mass393.85
IUPAC Name(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone
SMILESCc1cc(F)c(C(=O)c2cc(Br)sc2Br)cc1F
InChIInChI=1S/C12H6Br2F2OS/c1-5-2-9(16)6(3-8(5)15)11(17)7-4-10(13)18-12(7)14/h2-4H,1H3
InChIKeyCVFUPIKEENQZBF-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.05
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-(2,4,5-trifluorophenyl)methanone
CID 107960219
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81481188
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960074
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 103298331
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960045
(2,5-dibromothiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107967866
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960063
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102826513
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344961
(3-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 81266841

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone (CID 114021061) is (2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone is Cc1cc(F)c(C(=O)c2cc(Br)sc2Br)cc1F.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone?
The InChIKey is CVFUPIKEENQZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2F2OS/c1-5-2-9(16)6(3-8(5)15)11(17)7-4-10(13)18-12(7)14/h2-4H,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone?
(2,5-dibromothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanone has a molecular weight of 396.05 g/mol, XLogP of 5.09, 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)-(2,5-difluoro-4-methylphenyl)methanone is sourced from PubChem (CID 114021061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).