(3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone

C11H4Br2F2OS — CID 79602224

IUPAC(3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1scc(Br)c1Br
InChIInChI=1S/C11H4Br2F2OS/c12-8-4-17-11(9(8)13)10(16)5-1-6(14)3-7(15)2-5/h1-4H
InChIKeyKUXXWKYGAFWAKT-UHFFFAOYSA-N
MW382.02 g/mol
LogP4.78
Rot. Bonds2

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

(3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone (PubChem CID 79602224) has the molecular formula C11H4Br2F2OS and a molecular weight of 382.02 g/mol. Its IUPAC name is (3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone
PubChem CID79602224
Molecular FormulaC11H4Br2F2OS
Molecular Weight382.02 g/mol
Exact Mass379.83
IUPAC Name(3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1scc(Br)c1Br
InChIInChI=1S/C11H4Br2F2OS/c12-8-4-17-11(9(8)13)10(16)5-1-6(14)3-7(15)2-5/h1-4H
InChIKeyKUXXWKYGAFWAKT-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.02
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone
CID 79602734
(3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone
CID 107949935
(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone
CID 81323702
bis(3,5-difluorophenyl)methanone
CID 2760569
(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 105095190
(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone
CID 105118815
(5-bromo-4-methylthiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79997059
2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone
CID 105412119
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470
[2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone
CID 114970525

Frequently Asked Questions

What is the IUPAC name of (3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone (CID 79602224) is (3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)c1scc(Br)c1Br.
What is the InChIKey of (3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone?
The InChIKey is KUXXWKYGAFWAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2F2OS/c12-8-4-17-11(9(8)13)10(16)5-1-6(14)3-7(15)2-5/h1-4H.
What are the key properties of (3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone?
(3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone has a molecular weight of 382.02 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 79602224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).