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

C11H5Cl3F2S — CID 107964463

IUPAC2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
SMILESFc1ccc(F)c(C(Cl)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H5Cl3F2S/c12-9-4-7(11(14)17-9)10(13)6-3-5(15)1-2-8(6)16/h1-4,10H
InChIKeyACRSLAFCCNDBDH-UHFFFAOYSA-N
MW313.58 g/mol
LogP5.66
Rot. Bonds2

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

2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene (PubChem CID 107964463) has the molecular formula C11H5Cl3F2S and a molecular weight of 313.58 g/mol. Its IUPAC name is 2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
PubChem CID107964463
Molecular FormulaC11H5Cl3F2S
Molecular Weight313.58 g/mol
Exact Mass311.91
IUPAC Name2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
SMILESFc1ccc(F)c(C(Cl)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C11H5Cl3F2S/c12-9-4-7(11(14)17-9)10(13)6-3-5(15)1-2-8(6)16/h1-4,10H
InChIKeyACRSLAFCCNDBDH-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.58
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene (CID 107964463) is 2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene is Fc1ccc(F)c(C(Cl)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene?
The InChIKey is ACRSLAFCCNDBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3F2S/c12-9-4-7(11(14)17-9)10(13)6-3-5(15)1-2-8(6)16/h1-4,10H.
What are the key properties of 2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene?
2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene has a molecular weight of 313.58 g/mol, XLogP of 5.66, 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-(2,5-difluorophenyl)methyl]thiophene is sourced from PubChem (CID 107964463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).