1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene

C20H25F — CID 58671884

IUPAC1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(F)c2)cc1
InChIInChI=1S/C20H25F/c1-19(2,3)16-10-7-14(8-11-16)15-9-12-17(18(21)13-15)20(4,5)6/h7-13H,1-6H3
InChIKeyJYXPFKADASENLE-UHFFFAOYSA-N
MW284.42 g/mol
LogP6.09
Rot. Bonds1

About 1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene

1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene (PubChem CID 58671884) has the molecular formula C20H25F and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene
PubChem CID58671884
Molecular FormulaC20H25F
Molecular Weight284.42 g/mol
Exact Mass284.19
IUPAC Name1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(F)c2)cc1
InChIInChI=1S/C20H25F/c1-19(2,3)16-10-7-14(8-11-16)15-9-12-17(18(21)13-15)20(4,5)6/h7-13H,1-6H3
InChIKeyJYXPFKADASENLE-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene?
The IUPAC name of 1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene (CID 58671884) is 1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene.
What is the SMILES notation for 1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene?
The canonical SMILES for 1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(F)c2)cc1.
What is the InChIKey of 1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene?
The InChIKey is JYXPFKADASENLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F/c1-19(2,3)16-10-7-14(8-11-16)15-9-12-17(18(21)13-15)20(4,5)6/h7-13H,1-6H3.
What are the key properties of 1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene?
1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene has a molecular weight of 284.42 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene is sourced from PubChem (CID 58671884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).