(4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone

C13H9Br2FOS — CID 106883217

IUPAC(4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(Br)c(Br)s2)c(F)c1
InChIInChI=1S/C13H9Br2FOS/c1-6-3-7(2)11(9(16)4-6)12(17)10-5-8(14)13(15)18-10/h3-5H,1-2H3
InChIKeyHAZZZXJMXBUISM-UHFFFAOYSA-N
MW392.09 g/mol
LogP5.26
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone

(4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone (PubChem CID 106883217) has the molecular formula C13H9Br2FOS and a molecular weight of 392.09 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone
PubChem CID106883217
Molecular FormulaC13H9Br2FOS
Molecular Weight392.09 g/mol
Exact Mass389.87
IUPAC Name(4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(Br)c(Br)s2)c(F)c1
InChIInChI=1S/C13H9Br2FOS/c1-6-3-7(2)11(9(16)4-6)12(17)10-5-8(14)13(15)18-10/h3-5H,1-2H3
InChIKeyHAZZZXJMXBUISM-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.09
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone (CID 106883217) is (4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cc(Br)c(Br)s2)c(F)c1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The InChIKey is HAZZZXJMXBUISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FOS/c1-6-3-7(2)11(9(16)4-6)12(17)10-5-8(14)13(15)18-10/h3-5H,1-2H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone?
(4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone has a molecular weight of 392.09 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106883217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).