1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene

C25H27F — CID 170265262

IUPAC1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene
SMILESCC(C)c1ccc(-c2ccc(CC(C)(C)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H27F/c1-18(2)20-9-11-22(12-10-20)21-7-5-19(6-8-21)17-25(3,4)23-13-15-24(26)16-14-23/h5-16,18H,17H2,1-4H3
InChIKeyOUEDNYJTGQQPRS-UHFFFAOYSA-N
MW346.49 g/mol
LogP7.14
Rot. Bonds5

About 1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene

1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene (PubChem CID 170265262) has the molecular formula C25H27F and a molecular weight of 346.49 g/mol. Its IUPAC name is 1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene
PubChem CID170265262
Molecular FormulaC25H27F
Molecular Weight346.49 g/mol
Exact Mass346.21
IUPAC Name1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene
SMILESCC(C)c1ccc(-c2ccc(CC(C)(C)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H27F/c1-18(2)20-9-11-22(12-10-20)21-7-5-19(6-8-21)17-25(3,4)23-13-15-24(26)16-14-23/h5-16,18H,17H2,1-4H3
InChIKeyOUEDNYJTGQQPRS-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.49
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-methyl-2-phenylpropyl)-4-propan-2-ylbenzene
CID 57304715
1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene
CID 163531384
1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene
CID 146530214
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
CID 63408137
1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene
CID 79837730
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
CID 166842431
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene?
The IUPAC name of 1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene (CID 170265262) is 1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene is CC(C)c1ccc(-c2ccc(CC(C)(C)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene?
The InChIKey is OUEDNYJTGQQPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F/c1-18(2)20-9-11-22(12-10-20)21-7-5-19(6-8-21)17-25(3,4)23-13-15-24(26)16-14-23/h5-16,18H,17H2,1-4H3.
What are the key properties of 1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene?
1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene has a molecular weight of 346.49 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 170265262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).