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

C12H9Br2FS — CID 63435784

IUPAC2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Br)c2cc(Br)ccc2F)s1
InChIInChI=1S/C12H9Br2FS/c1-7-2-5-11(16-7)12(14)9-6-8(13)3-4-10(9)15/h2-6,12H,1H3
InChIKeyLKNJPARADNTAJR-UHFFFAOYSA-N
MW364.08 g/mol
LogP5.44
Rot. Bonds2

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

2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene (PubChem CID 63435784) has the molecular formula C12H9Br2FS and a molecular weight of 364.08 g/mol. Its IUPAC name is 2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene
PubChem CID63435784
Molecular FormulaC12H9Br2FS
Molecular Weight364.08 g/mol
Exact Mass361.88
IUPAC Name2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Br)c2cc(Br)ccc2F)s1
InChIInChI=1S/C12H9Br2FS/c1-7-2-5-11(16-7)12(14)9-6-8(13)3-4-10(9)15/h2-6,12H,1H3
InChIKeyLKNJPARADNTAJR-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.08
LogP ≤ 55.44
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

2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-chlorothiophene
CID 63441250
2-[bromo-(2,3,4-trifluorophenyl)methyl]-5-methylthiophene
CID 79755175
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene
CID 63435888
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-methylthiophene
CID 63435870
2-[bromo-(2-fluoro-4,5-dimethoxyphenyl)methyl]-5-methylthiophene
CID 55125430
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-methylthiophene
CID 107991587
3-[bromo-(5-methylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440541
5-bromo-7-[bromo-(5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543596
2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983493
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 65148086
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene
CID 105057371

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene (CID 63435784) is 2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene is Cc1ccc(C(Br)c2cc(Br)ccc2F)s1.
What is the InChIKey of 2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene?
The InChIKey is LKNJPARADNTAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FS/c1-7-2-5-11(16-7)12(14)9-6-8(13)3-4-10(9)15/h2-6,12H,1H3.
What are the key properties of 2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene?
2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene has a molecular weight of 364.08 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 63435784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).