1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene

C9Cl3F9 — CID 75406204

IUPAC1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Cl)c(C(F)(F)F)c(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9Cl3F9/c10-4-1(7(13,14)15)5(11)3(9(19,20)21)6(12)2(4)8(16,17)18
InChIKeyZKLBYVLEBIWSAL-UHFFFAOYSA-N
MW385.44 g/mol
LogP6.70
Rot. Bonds

About 1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene

1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene (PubChem CID 75406204) has the molecular formula C9Cl3F9 and a molecular weight of 385.44 g/mol. Its IUPAC name is 1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
PubChem CID75406204
Molecular FormulaC9Cl3F9
Molecular Weight385.44 g/mol
Exact Mass383.89
IUPAC Name1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(Cl)c(C(F)(F)F)c(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9Cl3F9/c10-4-1(7(13,14)15)5(11)3(9(19,20)21)6(12)2(4)8(16,17)18
InChIKeyZKLBYVLEBIWSAL-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene?
The IUPAC name of 1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene (CID 75406204) is 1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene.
What is the SMILES notation for 1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene?
The canonical SMILES for 1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene is FC(F)(F)c1c(Cl)c(C(F)(F)F)c(Cl)c(C(F)(F)F)c1Cl.
What is the InChIKey of 1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene?
The InChIKey is ZKLBYVLEBIWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9Cl3F9/c10-4-1(7(13,14)15)5(11)3(9(19,20)21)6(12)2(4)8(16,17)18.
What are the key properties of 1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene?
1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene has a molecular weight of 385.44 g/mol, XLogP of 6.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene is sourced from PubChem (CID 75406204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).