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

C11H6Cl3FS — CID 63436472

IUPAC2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C11H6Cl3FS/c12-9-5-8(11(14)16-9)10(13)6-1-3-7(15)4-2-6/h1-5,10H
InChIKeyOWGVVKRNMOGVGJ-UHFFFAOYSA-N
MW295.59 g/mol
LogP5.52
Rot. Bonds2

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

2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene (PubChem CID 63436472) has the molecular formula C11H6Cl3FS and a molecular weight of 295.59 g/mol. Its IUPAC name is 2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene
PubChem CID63436472
Molecular FormulaC11H6Cl3FS
Molecular Weight295.59 g/mol
Exact Mass293.92
IUPAC Name2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C11H6Cl3FS/c12-9-5-8(11(14)16-9)10(13)6-1-3-7(15)4-2-6/h1-5,10H
InChIKeyOWGVVKRNMOGVGJ-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.59
LogP ≤ 55.52
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

2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 63436785
2,5-dichloro-3-[chloro-(4-methylphenyl)methyl]thiophene
CID 63436429
2,5-dichloro-3-[chloro-(3-fluorophenyl)methyl]thiophene
CID 63436522
2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 107964463
2,5-dichloro-3-[chloro-(4-cyclohexylphenyl)methyl]thiophene
CID 107964502
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene
CID 63436337
2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene
CID 63436567
2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
CID 114021706
3-[(3-bromo-4-methylphenyl)-chloromethyl]-2,5-dichlorothiophene
CID 81476245
2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene
CID 63436738
2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
CID 63436479

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene (CID 63436472) is 2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene is Fc1ccc(C(Cl)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene?
The InChIKey is OWGVVKRNMOGVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3FS/c12-9-5-8(11(14)16-9)10(13)6-1-3-7(15)4-2-6/h1-5,10H.
What are the key properties of 2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene?
2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene has a molecular weight of 295.59 g/mol, XLogP of 5.52, 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-(4-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 63436472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).