3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene

C6H2BrCl2F3S — CID 61097775

IUPAC3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene
SMILESFC(F)(F)C(Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C6H2BrCl2F3S/c7-4(6(10,11)12)2-1-3(8)13-5(2)9/h1,4H
InChIKeyLMGGYWQUIWQCEM-UHFFFAOYSA-N
MW313.95 g/mol
LogP5.05
Rot. Bonds1

About 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene

3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene (PubChem CID 61097775) has the molecular formula C6H2BrCl2F3S and a molecular weight of 313.95 g/mol. Its IUPAC name is 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene.

Molecular Properties

Compound Name3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene
PubChem CID61097775
Molecular FormulaC6H2BrCl2F3S
Molecular Weight313.95 g/mol
Exact Mass311.84
IUPAC Name3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene
SMILESFC(F)(F)C(Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C6H2BrCl2F3S/c7-4(6(10,11)12)2-1-3(8)13-5(2)9/h1,4H
InChIKeyLMGGYWQUIWQCEM-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.95
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene 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-[4-(trifluoromethyl)phenyl]methyl]-2,5-dichlorothiophene
CID 63445127
3-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,5-dichlorothiophene
CID 107333376
3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene
CID 63444629
3-(1-bromo-3,4,4-trimethylpentyl)-2,5-dichlorothiophene
CID 63834018
3-(1-bromo-2-propylpentyl)-2,5-dichlorothiophene
CID 82987916
3-(1-bromo-2-cyclopropylpropyl)-2,5-dichlorothiophene
CID 83149199
3-[bromo-(4-bromo-2-chlorophenyl)methyl]-2,5-dichlorothiophene
CID 63444900
2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene
CID 63436337
2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
CID 63436827
3-[bromo-(3,4-dimethylphenyl)methyl]-2,5-dichlorothiophene
CID 55200123
3-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,5-dichlorothiophene
CID 107991757
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 103787665

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene?
The IUPAC name of 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene (CID 61097775) is 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene.
What is the SMILES notation for 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene?
The canonical SMILES for 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene is FC(F)(F)C(Br)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene?
The InChIKey is LMGGYWQUIWQCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2F3S/c7-4(6(10,11)12)2-1-3(8)13-5(2)9/h1,4H.
What are the key properties of 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene?
3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene has a molecular weight of 313.95 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-2,2,2-trifluoroethyl)-2,5-dichlorothiophene is sourced from PubChem (CID 61097775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).