4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene

C19H23F — CID 165380601

IUPAC4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene
SMILESCC(C)c1cc(-c2ccc(C(C)(C)C)cc2)ccc1F
InChIInChI=1S/C19H23F/c1-13(2)17-12-15(8-11-18(17)20)14-6-9-16(10-7-14)19(3,4)5/h6-13H,1-5H3
InChIKeyRIFWOXNDYXHLSU-UHFFFAOYSA-N
MW270.39 g/mol
LogP5.91
Rot. Bonds2

About 4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene

4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene (PubChem CID 165380601) has the molecular formula C19H23F and a molecular weight of 270.39 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene
PubChem CID165380601
Molecular FormulaC19H23F
Molecular Weight270.39 g/mol
Exact Mass270.18
IUPAC Name4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene
SMILESCC(C)c1cc(-c2ccc(C(C)(C)C)cc2)ccc1F
InChIInChI=1S/C19H23F/c1-13(2)17-12-15(8-11-18(17)20)14-6-9-16(10-7-14)19(3,4)5/h6-13H,1-5H3
InChIKeyRIFWOXNDYXHLSU-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.39
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-phenyl-2-propan-2-ylbenzene
CID 134581183
1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene
CID 58671884
4-(4-tert-butylphenyl)-2-ethoxy-1-fluorobenzene
CID 122674240
1-(5-tert-butyl-2-fluorophenyl)ethanamine
CID 83988556
3-(4-fluoro-3-propan-2-ylphenyl)pyridine
CID 83381583
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
4-fluoro-3-propan-2-ylaniline
CID 45090554
2-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole
CID 58834826
1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene
CID 164811423
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 84671373

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene?
The IUPAC name of 4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene (CID 165380601) is 4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene?
The canonical SMILES for 4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene is CC(C)c1cc(-c2ccc(C(C)(C)C)cc2)ccc1F.
What is the InChIKey of 4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene?
The InChIKey is RIFWOXNDYXHLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F/c1-13(2)17-12-15(8-11-18(17)20)14-6-9-16(10-7-14)19(3,4)5/h6-13H,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene?
4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene has a molecular weight of 270.39 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 165380601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).