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

C11H6Cl3FS — CID 63436567

IUPAC2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene
SMILESFc1ccccc1C(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6Cl3FS/c12-9-5-7(11(14)16-9)10(13)6-3-1-2-4-8(6)15/h1-5,10H
InChIKeyYBJZMCKNYAZPJU-UHFFFAOYSA-N
MW295.59 g/mol
LogP5.52
Rot. Bonds2

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

2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene (PubChem CID 63436567) has the molecular formula C11H6Cl3FS and a molecular weight of 295.59 g/mol. Its IUPAC name is 2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene
PubChem CID63436567
Molecular FormulaC11H6Cl3FS
Molecular Weight295.59 g/mol
Exact Mass293.92
IUPAC Name2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene
SMILESFc1ccccc1C(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6Cl3FS/c12-9-5-7(11(14)16-9)10(13)6-3-1-2-4-8(6)15/h1-5,10H
InChIKeyYBJZMCKNYAZPJU-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-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413
2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 107964463
2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
CID 114021706
2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 63436785
2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene
CID 63436472
2,5-dichloro-3-[chloro-(3-fluorophenyl)methyl]thiophene
CID 63436522
2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene
CID 63436337
1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43486798
2-[chloro-(2-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 81157986
2,5-dichloro-3-[chloro-(4-methylphenyl)methyl]thiophene
CID 63436429
3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
CID 107965054
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 43344854

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene (CID 63436567) is 2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene is Fc1ccccc1C(Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene?
The InChIKey is YBJZMCKNYAZPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3FS/c12-9-5-7(11(14)16-9)10(13)6-3-1-2-4-8(6)15/h1-5,10H.
What are the key properties of 2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene?
2,5-dichloro-3-[chloro-(2-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-(2-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 63436567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).