3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene

C12H8Br3FS — CID 102835926

IUPAC3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene
SMILESCc1sc(C(Br)c2ccc(Br)cc2F)cc1Br
InChIInChI=1S/C12H8Br3FS/c1-6-9(14)5-11(17-6)12(15)8-3-2-7(13)4-10(8)16/h2-5,12H,1H3
InChIKeyCJEWQPVMQAWZRB-UHFFFAOYSA-N
MW442.97 g/mol
LogP6.20
Rot. Bonds2

About 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene

3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene (PubChem CID 102835926) has the molecular formula C12H8Br3FS and a molecular weight of 442.97 g/mol. Its IUPAC name is 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene
PubChem CID102835926
Molecular FormulaC12H8Br3FS
Molecular Weight442.97 g/mol
Exact Mass439.79
IUPAC Name3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene
SMILESCc1sc(C(Br)c2ccc(Br)cc2F)cc1Br
InChIInChI=1S/C12H8Br3FS/c1-6-9(14)5-11(17-6)12(15)8-3-2-7(13)4-10(8)16/h2-5,12H,1H3
InChIKeyCJEWQPVMQAWZRB-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835836
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
3-bromo-5-[bromo-(4-bromo-2-methoxyphenyl)methyl]-2-methylthiophene
CID 102835832
2,3-dibromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80534660
3-bromo-5-[bromo-(3,4,5-trifluorophenyl)methyl]-2-methylthiophene
CID 102835931
3-bromo-5-[bromo-(3-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835829
3-bromo-5-[bromo-(2,6-difluoro-3-methylphenyl)methyl]-2-methylthiophene
CID 102835742
3-bromo-5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-methylthiophene
CID 102836139
(4-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 102827122
3-bromo-5-[bromo-(3,5-dibromophenyl)methyl]-2-methylthiophene
CID 107981023
1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
CID 81474119
5-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylthiophene
CID 65238352

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene?
The IUPAC name of 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene (CID 102835926) is 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene?
The canonical SMILES for 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene is Cc1sc(C(Br)c2ccc(Br)cc2F)cc1Br.
What is the InChIKey of 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene?
The InChIKey is CJEWQPVMQAWZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3FS/c1-6-9(14)5-11(17-6)12(15)8-3-2-7(13)4-10(8)16/h2-5,12H,1H3.
What are the key properties of 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene?
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene has a molecular weight of 442.97 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene is sourced from PubChem (CID 102835926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).