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

C11H6Br3FS — CID 80534470

IUPAC2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene
SMILESFc1ccccc1C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H6Br3FS/c12-7-5-9(16-11(7)14)10(13)6-3-1-2-4-8(6)15/h1-5,10H
InChIKeyXXIXNEDKPLVISX-UHFFFAOYSA-N
MW428.95 g/mol
LogP5.90
Rot. Bonds2

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

2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene (PubChem CID 80534470) has the molecular formula C11H6Br3FS and a molecular weight of 428.95 g/mol. Its IUPAC name is 2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene
PubChem CID80534470
Molecular FormulaC11H6Br3FS
Molecular Weight428.95 g/mol
Exact Mass425.77
IUPAC Name2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene
SMILESFc1ccccc1C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H6Br3FS/c12-7-5-9(16-11(7)14)10(13)6-3-1-2-4-8(6)15/h1-5,10H
InChIKeyXXIXNEDKPLVISX-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.95
LogP ≤ 55.90
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

2,3-dibromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80534660
2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene
CID 114560719
2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene
CID 107983607
2,3-dibromo-5-[bromo-(3,4-difluorophenyl)methyl]thiophene
CID 80534322
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
N-[(4,5-dibromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 80535409
2,3-dibromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 80534385
2,3-dibromo-5-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538848
2,3-dibromo-5-[1-bromo-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534309
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
2,3-dibromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]thiophene
CID 80538746

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene (CID 80534470) is 2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene is Fc1ccccc1C(Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene?
The InChIKey is XXIXNEDKPLVISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3FS/c12-7-5-9(16-11(7)14)10(13)6-3-1-2-4-8(6)15/h1-5,10H.
What are the key properties of 2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene?
2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene has a molecular weight of 428.95 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 80534470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).