2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene

C11H5Br2ClF2S — CID 80533517

IUPAC2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
SMILESFc1ccc(C(Br)c2cc(Cl)c(Br)s2)c(F)c1
InChIInChI=1S/C11H5Br2ClF2S/c12-10(9-4-7(14)11(13)17-9)6-2-1-5(15)3-8(6)16/h1-4,10H
InChIKeyOAANJKHAGBHZNL-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.93
Rot. Bonds2

About 2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene

2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene (PubChem CID 80533517) has the molecular formula C11H5Br2ClF2S and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene.

Molecular Properties

Compound Name2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
PubChem CID80533517
Molecular FormulaC11H5Br2ClF2S
Molecular Weight402.49 g/mol
Exact Mass399.81
IUPAC Name2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
SMILESFc1ccc(C(Br)c2cc(Cl)c(Br)s2)c(F)c1
InChIInChI=1S/C11H5Br2ClF2S/c12-10(9-4-7(14)11(13)17-9)6-2-1-5(15)3-8(6)16/h1-4,10H
InChIKeyOAANJKHAGBHZNL-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
CID 107992049
2-bromo-5-[bromo-(2-chloro-4-methylphenyl)methyl]-3-chlorothiophene
CID 106863221
2-bromo-5-[bromo-(3-chloro-4-fluorophenyl)methyl]-3-chlorothiophene
CID 82879819
(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 80532328
2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
CID 114560717
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene
CID 63442364
2,3-dibromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80534660
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 80531040
1-[bromo-(3-chloro-2-fluorophenyl)methyl]-2,4-difluorobenzene
CID 81262674
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene?
The IUPAC name of 2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene (CID 80533517) is 2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene.
What is the SMILES notation for 2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene?
The canonical SMILES for 2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene is Fc1ccc(C(Br)c2cc(Cl)c(Br)s2)c(F)c1.
What is the InChIKey of 2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene?
The InChIKey is OAANJKHAGBHZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClF2S/c12-10(9-4-7(14)11(13)17-9)6-2-1-5(15)3-8(6)16/h1-4,10H.
What are the key properties of 2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene?
2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene has a molecular weight of 402.49 g/mol, XLogP of 5.93, 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-(2,4-difluorophenyl)methyl]-3-chlorothiophene is sourced from PubChem (CID 80533517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).