1,2,4-trichloro-3,5,6-trifluorobenzene

C6Cl3F3 — CID 13031264

IUPAC1,2,4-trichloro-3,5,6-trifluorobenzene
SMILESFc1c(F)c(Cl)c(Cl)c(F)c1Cl
InChIInChI=1S/C6Cl3F3/c7-1-2(8)5(11)6(12)3(9)4(1)10
InChIKeyBZSJKSFTYRTRBL-UHFFFAOYSA-N
MW235.42 g/mol
LogP4.06
Rot. Bonds

About 1,2,4-trichloro-3,5,6-trifluorobenzene

1,2,4-trichloro-3,5,6-trifluorobenzene (PubChem CID 13031264) has the molecular formula C6Cl3F3 and a molecular weight of 235.42 g/mol. Its IUPAC name is 1,2,4-trichloro-3,5,6-trifluorobenzene.

Molecular Properties

Compound Name1,2,4-trichloro-3,5,6-trifluorobenzene
PubChem CID13031264
Molecular FormulaC6Cl3F3
Molecular Weight235.42 g/mol
Exact Mass233.90
IUPAC Name1,2,4-trichloro-3,5,6-trifluorobenzene
SMILESFc1c(F)c(Cl)c(Cl)c(F)c1Cl
InChIInChI=1S/C6Cl3F3/c7-1-2(8)5(11)6(12)3(9)4(1)10
InChIKeyBZSJKSFTYRTRBL-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 54.06
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 1,2,4-trichloro-3,5,6-trifluorobenzene?
The IUPAC name of 1,2,4-trichloro-3,5,6-trifluorobenzene (CID 13031264) is 1,2,4-trichloro-3,5,6-trifluorobenzene.
What is the SMILES notation for 1,2,4-trichloro-3,5,6-trifluorobenzene?
The canonical SMILES for 1,2,4-trichloro-3,5,6-trifluorobenzene is Fc1c(F)c(Cl)c(Cl)c(F)c1Cl.
What is the InChIKey of 1,2,4-trichloro-3,5,6-trifluorobenzene?
The InChIKey is BZSJKSFTYRTRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl3F3/c7-1-2(8)5(11)6(12)3(9)4(1)10.
What are the key properties of 1,2,4-trichloro-3,5,6-trifluorobenzene?
1,2,4-trichloro-3,5,6-trifluorobenzene has a molecular weight of 235.42 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-3,5,6-trifluorobenzene is sourced from PubChem (CID 13031264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).