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

C13H11Br2FS — CID 102835836

IUPAC3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene
SMILESCc1ccc(C(Br)c2cc(Br)c(C)s2)c(F)c1
InChIInChI=1S/C13H11Br2FS/c1-7-3-4-9(11(16)5-7)13(15)12-6-10(14)8(2)17-12/h3-6,13H,1-2H3
InChIKeyJIEBRRGZJPOOIS-UHFFFAOYSA-N
MW378.10 g/mol
LogP5.75
Rot. Bonds2

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

3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene (PubChem CID 102835836) has the molecular formula C13H11Br2FS and a molecular weight of 378.10 g/mol. Its IUPAC name is 3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene
PubChem CID102835836
Molecular FormulaC13H11Br2FS
Molecular Weight378.10 g/mol
Exact Mass375.89
IUPAC Name3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene
SMILESCc1ccc(C(Br)c2cc(Br)c(C)s2)c(F)c1
InChIInChI=1S/C13H11Br2FS/c1-7-3-4-9(11(16)5-7)13(15)12-6-10(14)8(2)17-12/h3-6,13H,1-2H3
InChIKeyJIEBRRGZJPOOIS-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.10
LogP ≤ 55.75
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-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene
CID 102835926
2,3-dibromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80534660
(4-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 102827122
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-(4-bromo-2-methoxyphenyl)methyl]-2-methylthiophene
CID 102835832
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
1,4-dibromo-2-[bromo-(2-fluoro-4-methylphenyl)methyl]-5-methylbenzene
CID 81470622
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
3-bromo-5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-chlorothiophene
CID 102836721

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene?
The IUPAC name of 3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene (CID 102835836) is 3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene?
The canonical SMILES for 3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene is Cc1ccc(C(Br)c2cc(Br)c(C)s2)c(F)c1.
What is the InChIKey of 3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene?
The InChIKey is JIEBRRGZJPOOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FS/c1-7-3-4-9(11(16)5-7)13(15)12-6-10(14)8(2)17-12/h3-6,13H,1-2H3.
What are the key properties of 3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene?
3-bromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene has a molecular weight of 378.10 g/mol, XLogP of 5.75, 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-(2-fluoro-4-methylphenyl)methyl]-2-methylthiophene is sourced from PubChem (CID 102835836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).