2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene

C11H5Br3ClFS — CID 114560717

IUPAC2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
SMILESFc1cccc(Br)c1C(Br)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H5Br3ClFS/c12-5-2-1-3-7(16)9(5)10(13)8-4-6(15)11(14)17-8/h1-4,10H
InChIKeyIDWDEOAXNJNHSU-UHFFFAOYSA-N
MW463.39 g/mol
LogP6.55
Rot. Bonds2

About 2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene

2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene (PubChem CID 114560717) has the molecular formula C11H5Br3ClFS and a molecular weight of 463.39 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene.

Molecular Properties

Compound Name2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
PubChem CID114560717
Molecular FormulaC11H5Br3ClFS
Molecular Weight463.39 g/mol
Exact Mass459.73
IUPAC Name2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
SMILESFc1cccc(Br)c1C(Br)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H5Br3ClFS/c12-5-2-1-3-7(16)9(5)10(13)8-4-6(15)11(14)17-8/h1-4,10H
InChIKeyIDWDEOAXNJNHSU-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 56.55
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-bromo-6-fluorophenyl)methyl]thiophene
CID 114560719
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene
CID 114560642
N-[(5-bromo-4-chlorothiophen-2-yl)-(2-bromo-6-fluorophenyl)methyl]ethanamine
CID 114559092
2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
CID 107992049
2-bromo-5-[bromo-(3-chloro-4-fluorophenyl)methyl]-3-chlorothiophene
CID 82879819
2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
CID 80533517
2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene
CID 80533282
2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran
CID 106689187
3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
CID 102836792
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol
CID 80532007
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 80530733
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine
CID 80530725

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene?
The IUPAC name of 2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene (CID 114560717) is 2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene.
What is the SMILES notation for 2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene?
The canonical SMILES for 2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene is Fc1cccc(Br)c1C(Br)c1cc(Cl)c(Br)s1.
What is the InChIKey of 2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene?
The InChIKey is IDWDEOAXNJNHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3ClFS/c12-5-2-1-3-7(16)9(5)10(13)8-4-6(15)11(14)17-8/h1-4,10H.
What are the key properties of 2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene?
2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene has a molecular weight of 463.39 g/mol, XLogP of 6.55, 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-bromo-6-fluorophenyl)methyl]-3-chlorothiophene is sourced from PubChem (CID 114560717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).