2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene

C13H10BrClF2S — CID 103404833

IUPAC2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene
SMILESCc1cc(C(Br)c2scc(C)c2Cl)c(F)cc1F
InChIInChI=1S/C13H10BrClF2S/c1-6-3-8(10(17)4-9(6)16)11(14)13-12(15)7(2)5-18-13/h3-5,11H,1-2H3
InChIKeyUKTKYLBUHVJQMM-UHFFFAOYSA-N
MW351.64 g/mol
LogP5.78
Rot. Bonds2

About 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene

2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene (PubChem CID 103404833) has the molecular formula C13H10BrClF2S and a molecular weight of 351.64 g/mol. Its IUPAC name is 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene.

Molecular Properties

Compound Name2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene
PubChem CID103404833
Molecular FormulaC13H10BrClF2S
Molecular Weight351.64 g/mol
Exact Mass349.93
IUPAC Name2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene
SMILESCc1cc(C(Br)c2scc(C)c2Cl)c(F)cc1F
InChIInChI=1S/C13H10BrClF2S/c1-6-3-8(10(17)4-9(6)16)11(14)13-12(15)7(2)5-18-13/h3-5,11H,1-2H3
InChIKeyUKTKYLBUHVJQMM-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.64
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene 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

3-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-1-benzothiophene
CID 79731199
2-[bromo-(2,6-difluoro-4-methoxyphenyl)methyl]-3-chloro-4-methylthiophene
CID 103404628
2-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-chloro-4-methylthiophene
CID 103404811
2-[(4-bromo-5-chloro-2-fluorophenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404935
1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731627
2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene
CID 103404648
3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
CID 103404573
2-[bromo-(2-fluoro-5-methylphenyl)methyl]-3-chlorothiophene
CID 80531659
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878
1-[bromo-(2-methylsulfanylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79730436
[(3-chloro-4-methylthiophen-2-yl)-(2-fluorophenyl)methyl]hydrazine
CID 103408457
2-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404793

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene?
The IUPAC name of 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene (CID 103404833) is 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene.
What is the SMILES notation for 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene?
The canonical SMILES for 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene is Cc1cc(C(Br)c2scc(C)c2Cl)c(F)cc1F.
What is the InChIKey of 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene?
The InChIKey is UKTKYLBUHVJQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClF2S/c1-6-3-8(10(17)4-9(6)16)11(14)13-12(15)7(2)5-18-13/h3-5,11H,1-2H3.
What are the key properties of 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene?
2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene has a molecular weight of 351.64 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene is sourced from PubChem (CID 103404833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).