1-tert-butyl-3-(3-fluorophenyl)benzene

C16H17F — CID 59066475

IUPAC1-tert-butyl-3-(3-fluorophenyl)benzene
SMILESCC(C)(C)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C16H17F/c1-16(2,3)14-8-4-6-12(10-14)13-7-5-9-15(17)11-13/h4-11H,1-3H3
InChIKeyOXOXVTJFOJPJPG-UHFFFAOYSA-N
MW228.31 g/mol
LogP4.79
Rot. Bonds1

About 1-tert-butyl-3-(3-fluorophenyl)benzene

1-tert-butyl-3-(3-fluorophenyl)benzene (PubChem CID 59066475) has the molecular formula C16H17F and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-fluorophenyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(3-fluorophenyl)benzene
PubChem CID59066475
Molecular FormulaC16H17F
Molecular Weight228.31 g/mol
Exact Mass228.13
IUPAC Name1-tert-butyl-3-(3-fluorophenyl)benzene
SMILESCC(C)(C)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C16H17F/c1-16(2,3)14-8-4-6-12(10-14)13-7-5-9-15(17)11-13/h4-11H,1-3H3
InChIKeyOXOXVTJFOJPJPG-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-fluorophenyl)benzene?
The IUPAC name of 1-tert-butyl-3-(3-fluorophenyl)benzene (CID 59066475) is 1-tert-butyl-3-(3-fluorophenyl)benzene.
What is the SMILES notation for 1-tert-butyl-3-(3-fluorophenyl)benzene?
The canonical SMILES for 1-tert-butyl-3-(3-fluorophenyl)benzene is CC(C)(C)c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 1-tert-butyl-3-(3-fluorophenyl)benzene?
The InChIKey is OXOXVTJFOJPJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F/c1-16(2,3)14-8-4-6-12(10-14)13-7-5-9-15(17)11-13/h4-11H,1-3H3.
What are the key properties of 1-tert-butyl-3-(3-fluorophenyl)benzene?
1-tert-butyl-3-(3-fluorophenyl)benzene has a molecular weight of 228.31 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-fluorophenyl)benzene is sourced from PubChem (CID 59066475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).