4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene

C17H19F — CID 58049386

IUPAC4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(C(C)(C)C)ccc2F)cc1
InChIInChI=1S/C17H19F/c1-12-5-7-13(8-6-12)15-11-14(17(2,3)4)9-10-16(15)18/h5-11H,1-4H3
InChIKeyHOMFJNZFXQACPU-UHFFFAOYSA-N
MW242.34 g/mol
LogP5.10
Rot. Bonds1

About 4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene

4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene (PubChem CID 58049386) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene
PubChem CID58049386
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(C(C)(C)C)ccc2F)cc1
InChIInChI=1S/C17H19F/c1-12-5-7-13(8-6-12)15-11-14(17(2,3)4)9-10-16(15)18/h5-11H,1-4H3
InChIKeyHOMFJNZFXQACPU-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.34
LogP ≤ 55.10
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-fluoro-2-(4-methylphenyl)benzene?
The IUPAC name of 4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene (CID 58049386) is 4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene.
What is the SMILES notation for 4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene?
The canonical SMILES for 4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene is Cc1ccc(-c2cc(C(C)(C)C)ccc2F)cc1.
What is the InChIKey of 4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene?
The InChIKey is HOMFJNZFXQACPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-12-5-7-13(8-6-12)15-11-14(17(2,3)4)9-10-16(15)18/h5-11H,1-4H3.
What are the key properties of 4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene?
4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene has a molecular weight of 242.34 g/mol, XLogP of 5.10, 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-fluoro-2-(4-methylphenyl)benzene is sourced from PubChem (CID 58049386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).