1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene

C16H12F6 — CID 122631883

IUPAC1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene
SMILESCc1c(F)c(C)c(-c2c(F)c(C)c(C)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H12F6/c1-5-6(2)13(19)16(22)10(12(5)18)9-7(3)11(17)8(4)14(20)15(9)21/h1-4H3
InChIKeyAUCDNLDDAJFVHW-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.42
Rot. Bonds1

About 1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene

1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene (PubChem CID 122631883) has the molecular formula C16H12F6 and a molecular weight of 318.26 g/mol. Its IUPAC name is 1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene.

Molecular Properties

Compound Name1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene
PubChem CID122631883
Molecular FormulaC16H12F6
Molecular Weight318.26 g/mol
Exact Mass318.08
IUPAC Name1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene
SMILESCc1c(F)c(C)c(-c2c(F)c(C)c(C)c(F)c2F)c(F)c1F
InChIInChI=1S/C16H12F6/c1-5-6(2)13(19)16(22)10(12(5)18)9-7(3)11(17)8(4)14(20)15(9)21/h1-4H3
InChIKeyAUCDNLDDAJFVHW-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene?
The IUPAC name of 1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene (CID 122631883) is 1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene.
What is the SMILES notation for 1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene?
The canonical SMILES for 1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene is Cc1c(F)c(C)c(-c2c(F)c(C)c(C)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene?
The InChIKey is AUCDNLDDAJFVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6/c1-5-6(2)13(19)16(22)10(12(5)18)9-7(3)11(17)8(4)14(20)15(9)21/h1-4H3.
What are the key properties of 1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene?
1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene has a molecular weight of 318.26 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-3,5-dimethyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)benzene is sourced from PubChem (CID 122631883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).