2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene

C11H4Cl3F3S — CID 114021706

IUPAC2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
SMILESFc1cc(F)c(C(Cl)c2cc(Cl)sc2Cl)cc1F
InChIInChI=1S/C11H4Cl3F3S/c12-9-2-5(11(14)18-9)10(13)4-1-7(16)8(17)3-6(4)15/h1-3,10H
InChIKeyQSGUPNGFDQIAHH-UHFFFAOYSA-N
MW331.57 g/mol
LogP5.80
Rot. Bonds2

About 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene

2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene (PubChem CID 114021706) has the molecular formula C11H4Cl3F3S and a molecular weight of 331.57 g/mol. Its IUPAC name is 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
PubChem CID114021706
Molecular FormulaC11H4Cl3F3S
Molecular Weight331.57 g/mol
Exact Mass329.91
IUPAC Name2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
SMILESFc1cc(F)c(C(Cl)c2cc(Cl)sc2Cl)cc1F
InChIInChI=1S/C11H4Cl3F3S/c12-9-2-5(11(14)18-9)10(13)4-1-7(16)8(17)3-6(4)15/h1-3,10H
InChIKeyQSGUPNGFDQIAHH-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.57
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene 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

2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 107964463
2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene
CID 63436567
2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 63436785
2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene
CID 63436337
1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
CID 103303789
2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene
CID 63436472
(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107964322
2,5-dichloro-3-[chloro-(3-fluorophenyl)methyl]thiophene
CID 63436522
(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964287
3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
CID 107965054
1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304052
1-(4-chloro-2,5-difluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 82783004

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene (CID 114021706) is 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene is Fc1cc(F)c(C(Cl)c2cc(Cl)sc2Cl)cc1F.
What is the InChIKey of 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene?
The InChIKey is QSGUPNGFDQIAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F3S/c12-9-2-5(11(14)18-9)10(13)4-1-7(16)8(17)3-6(4)15/h1-3,10H.
What are the key properties of 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene?
2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene has a molecular weight of 331.57 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene is sourced from PubChem (CID 114021706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).