1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene

C22H24F6 — CID 129035319

IUPAC1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene
SMILESCc1c(F)c(F)c(-c2c(F)c(F)c(C(C)C)c(F)c2C(C)C)c(C(C)C)c1F
InChIInChI=1S/C22H24F6/c1-8(2)12-15(21(27)18(24)11(7)17(12)23)16-13(9(3)4)19(25)14(10(5)6)20(26)22(16)28/h8-10H,1-7H3
InChIKeyUPJAFDHVDIUVAR-UHFFFAOYSA-N
MW402.42 g/mol
LogP7.87
Rot. Bonds4

About 1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene

1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene (PubChem CID 129035319) has the molecular formula C22H24F6 and a molecular weight of 402.42 g/mol. Its IUPAC name is 1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene
PubChem CID129035319
Molecular FormulaC22H24F6
Molecular Weight402.42 g/mol
Exact Mass402.18
IUPAC Name1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene
SMILESCc1c(F)c(F)c(-c2c(F)c(F)c(C(C)C)c(F)c2C(C)C)c(C(C)C)c1F
InChIInChI=1S/C22H24F6/c1-8(2)12-15(21(27)18(24)11(7)17(12)23)16-13(9(3)4)19(25)14(10(5)6)20(26)22(16)28/h8-10H,1-7H3
InChIKeyUPJAFDHVDIUVAR-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 57.87
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-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene?
The IUPAC name of 1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene (CID 129035319) is 1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene?
The canonical SMILES for 1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene is Cc1c(F)c(F)c(-c2c(F)c(F)c(C(C)C)c(F)c2C(C)C)c(C(C)C)c1F.
What is the InChIKey of 1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene?
The InChIKey is UPJAFDHVDIUVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F6/c1-8(2)12-15(21(27)18(24)11(7)17(12)23)16-13(9(3)4)19(25)14(10(5)6)20(26)22(16)28/h8-10H,1-7H3.
What are the key properties of 1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene?
1,2,4-trifluoro-3,5-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene has a molecular weight of 402.42 g/mol, XLogP of 7.87, 4 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-di(propan-2-yl)-6-(2,3,5-trifluoro-4-methyl-6-propan-2-ylphenyl)benzene is sourced from PubChem (CID 129035319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).