3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene

C13H11Br2FS — CID 107958748

IUPAC3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Br)c2cccc(Br)c2F)c(C)s1
InChIInChI=1S/C13H11Br2FS/c1-7-6-10(8(2)17-7)12(15)9-4-3-5-11(14)13(9)16/h3-6,12H,1-2H3
InChIKeyULMGIEJWZIQPSJ-UHFFFAOYSA-N
MW378.10 g/mol
LogP5.75
Rot. Bonds2

About 3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene

3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene (PubChem CID 107958748) has the molecular formula C13H11Br2FS and a molecular weight of 378.10 g/mol. Its IUPAC name is 3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene
PubChem CID107958748
Molecular FormulaC13H11Br2FS
Molecular Weight378.10 g/mol
Exact Mass375.89
IUPAC Name3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Br)c2cccc(Br)c2F)c(C)s1
InChIInChI=1S/C13H11Br2FS/c1-7-6-10(8(2)17-7)12(15)9-4-3-5-11(14)13(9)16/h3-6,12H,1-2H3
InChIKeyULMGIEJWZIQPSJ-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-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397
1-bromo-4-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylbenzene
CID 107958908
1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
CID 107958460
1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene
CID 107958201
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63797512
2-[bromo-(3-bromo-2-fluorophenyl)methyl]-5-tert-butylthiophene
CID 114020891
3-[bromo-(5-methylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440541
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
CID 61098751
1-(3-bromo-2-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106647705
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene?
The IUPAC name of 3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene (CID 107958748) is 3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene?
The canonical SMILES for 3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene is Cc1cc(C(Br)c2cccc(Br)c2F)c(C)s1.
What is the InChIKey of 3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene?
The InChIKey is ULMGIEJWZIQPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FS/c1-7-6-10(8(2)17-7)12(15)9-4-3-5-11(14)13(9)16/h3-6,12H,1-2H3.
What are the key properties of 3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene?
3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene 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-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene is sourced from PubChem (CID 107958748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).