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

C16H16F2 — CID 58049398

IUPAC4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene
SMILESCC(C)(C)c1ccc(F)c(-c2ccccc2F)c1
InChIInChI=1S/C16H16F2/c1-16(2,3)11-8-9-15(18)13(10-11)12-6-4-5-7-14(12)17/h4-10H,1-3H3
InChIKeyPXNXVFDGVYOGHZ-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.93
Rot. Bonds1

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

4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene (PubChem CID 58049398) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene.

Molecular Properties

Compound Name4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene
PubChem CID58049398
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene
SMILESCC(C)(C)c1ccc(F)c(-c2ccccc2F)c1
InChIInChI=1S/C16H16F2/c1-16(2,3)11-8-9-15(18)13(10-11)12-6-4-5-7-14(12)17/h4-10H,1-3H3
InChIKeyPXNXVFDGVYOGHZ-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tert-Amylbenzene
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2-Fluorobiphenyl
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Dimethyldiphenylmethane
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Isopropylbiphenyl
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1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene
CID 80715
5-Tert-butyl-m-xylene
CID 7378
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
CID 74681
1,3,5-Tri-tert-butylbenzene
CID 15089
1,1-Bis(3,4-dimethylphenyl)ethane
CID 74448
1,3-Di-tert-butylbenzene
CID 136810
alpha-Methylstyrene dimer
CID 22521

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene?
The IUPAC name of 4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene (CID 58049398) is 4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene.
What is the SMILES notation for 4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene?
The canonical SMILES for 4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene is CC(C)(C)c1ccc(F)c(-c2ccccc2F)c1.
What is the InChIKey of 4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene?
The InChIKey is PXNXVFDGVYOGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c1-16(2,3)11-8-9-15(18)13(10-11)12-6-4-5-7-14(12)17/h4-10H,1-3H3.
What are the key properties of 4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene?
4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene has a molecular weight of 246.30 g/mol, XLogP of 4.93, 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-(2-fluorophenyl)benzene is sourced from PubChem (CID 58049398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).