2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene

C11H5Br4FS — CID 114560719

IUPAC2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene
SMILESFc1cccc(Br)c1C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H5Br4FS/c12-5-2-1-3-7(16)9(5)10(14)8-4-6(13)11(15)17-8/h1-4,10H
InChIKeyUDZGVDCBZNRNEM-UHFFFAOYSA-N
MW507.84 g/mol
LogP6.66
Rot. Bonds2

About 2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene

2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene (PubChem CID 114560719) has the molecular formula C11H5Br4FS and a molecular weight of 507.84 g/mol. Its IUPAC name is 2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene
PubChem CID114560719
Molecular FormulaC11H5Br4FS
Molecular Weight507.84 g/mol
Exact Mass503.68
IUPAC Name2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene
SMILESFc1cccc(Br)c1C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H5Br4FS/c12-5-2-1-3-7(16)9(5)10(14)8-4-6(13)11(15)17-8/h1-4,10H
InChIKeyUDZGVDCBZNRNEM-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.84
LogP ≤ 56.66
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-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
CID 114560717
1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 114559095
2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene
CID 80534470
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene
CID 114560642
2,3-dibromo-5-[bromo-(3,4-difluorophenyl)methyl]thiophene
CID 80534322
2,3-dibromo-5-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538848
N-[(4,5-dibromothiophen-2-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 80534014
2,3-dibromo-5-[1-bromo-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534309
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 114560632
2,3-dibromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80534660
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene
CID 107983607

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene (CID 114560719) is 2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene is Fc1cccc(Br)c1C(Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene?
The InChIKey is UDZGVDCBZNRNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br4FS/c12-5-2-1-3-7(16)9(5)10(14)8-4-6(13)11(15)17-8/h1-4,10H.
What are the key properties of 2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene?
2,3-dibromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]thiophene has a molecular weight of 507.84 g/mol, XLogP of 6.66, 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-bromo-6-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 114560719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).