1,2,3,5-tetrachloro-4,6-difluorobenzene

C6Cl4F2 — CID 619915

IUPAC1,2,3,5-tetrachloro-4,6-difluorobenzene
SMILESFc1c(Cl)c(F)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6Cl4F2/c7-1-2(8)5(11)4(10)6(12)3(1)9
InChIKeyPVGPCHMQECZTIK-UHFFFAOYSA-N
MW251.87 g/mol
LogP4.58
Rot. Bonds

About 1,2,3,5-tetrachloro-4,6-difluorobenzene

1,2,3,5-tetrachloro-4,6-difluorobenzene (PubChem CID 619915) has the molecular formula C6Cl4F2 and a molecular weight of 251.87 g/mol. Its IUPAC name is 1,2,3,5-tetrachloro-4,6-difluorobenzene.

Molecular Properties

Compound Name1,2,3,5-tetrachloro-4,6-difluorobenzene
PubChem CID619915
Molecular FormulaC6Cl4F2
Molecular Weight251.87 g/mol
Exact Mass249.87
IUPAC Name1,2,3,5-tetrachloro-4,6-difluorobenzene
SMILESFc1c(Cl)c(F)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6Cl4F2/c7-1-2(8)5(11)4(10)6(12)3(1)9
InChIKeyPVGPCHMQECZTIK-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.87
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrachloro-4,6-difluorobenzene?
The IUPAC name of 1,2,3,5-tetrachloro-4,6-difluorobenzene (CID 619915) is 1,2,3,5-tetrachloro-4,6-difluorobenzene.
What is the SMILES notation for 1,2,3,5-tetrachloro-4,6-difluorobenzene?
The canonical SMILES for 1,2,3,5-tetrachloro-4,6-difluorobenzene is Fc1c(Cl)c(F)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,5-tetrachloro-4,6-difluorobenzene?
The InChIKey is PVGPCHMQECZTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl4F2/c7-1-2(8)5(11)4(10)6(12)3(1)9.
What are the key properties of 1,2,3,5-tetrachloro-4,6-difluorobenzene?
1,2,3,5-tetrachloro-4,6-difluorobenzene has a molecular weight of 251.87 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrachloro-4,6-difluorobenzene is sourced from PubChem (CID 619915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).