4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene

C20H25F — CID 168798404

IUPAC4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene
SMILESCC(C)(C)c1cccc(-c2ccc(C(C)(C)C)cc2F)c1
InChIInChI=1S/C20H25F/c1-19(2,3)15-9-7-8-14(12-15)17-11-10-16(13-18(17)21)20(4,5)6/h7-13H,1-6H3
InChIKeyUFDVWSPVWQLCHP-UHFFFAOYSA-N
MW284.42 g/mol
LogP6.09
Rot. Bonds1

About 4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene

4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene (PubChem CID 168798404) has the molecular formula C20H25F and a molecular weight of 284.42 g/mol. Its IUPAC name is 4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene
PubChem CID168798404
Molecular FormulaC20H25F
Molecular Weight284.42 g/mol
Exact Mass284.19
IUPAC Name4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene
SMILESCC(C)(C)c1cccc(-c2ccc(C(C)(C)C)cc2F)c1
InChIInChI=1S/C20H25F/c1-19(2,3)15-9-7-8-14(12-15)17-11-10-16(13-18(17)21)20(4,5)6/h7-13H,1-6H3
InChIKeyUFDVWSPVWQLCHP-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 4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene?
The IUPAC name of 4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene (CID 168798404) is 4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene.
What is the SMILES notation for 4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene?
The canonical SMILES for 4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene is CC(C)(C)c1cccc(-c2ccc(C(C)(C)C)cc2F)c1.
What is the InChIKey of 4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene?
The InChIKey is UFDVWSPVWQLCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F/c1-19(2,3)15-9-7-8-14(12-15)17-11-10-16(13-18(17)21)20(4,5)6/h7-13H,1-6H3.
What are the key properties of 4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene?
4-tert-butyl-1-(3-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 4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene is sourced from PubChem (CID 168798404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).