1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene

C24H24F2 — CID 46185525

IUPAC1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
SMILESCC(CCc1ccccc1)(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C24H24F2/c1-24(16-15-19-5-3-2-4-6-19,17-20-7-11-22(25)12-8-20)18-21-9-13-23(26)14-10-21/h2-14H,15-18H2,1H3
InChIKeyPUVCOFTXWDOPKM-UHFFFAOYSA-N
MW350.45 g/mol
LogP6.39
Rot. Bonds7

About 1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene

1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene (PubChem CID 46185525) has the molecular formula C24H24F2 and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
PubChem CID46185525
Molecular FormulaC24H24F2
Molecular Weight350.45 g/mol
Exact Mass350.18
IUPAC Name1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
SMILESCC(CCc1ccccc1)(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C24H24F2/c1-24(16-15-19-5-3-2-4-6-19,17-20-7-11-22(25)12-8-20)18-21-9-13-23(26)14-10-21/h2-14H,15-18H2,1H3
InChIKeyPUVCOFTXWDOPKM-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.45
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene?
The IUPAC name of 1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene (CID 46185525) is 1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene is CC(CCc1ccccc1)(Cc1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene?
The InChIKey is PUVCOFTXWDOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2/c1-24(16-15-19-5-3-2-4-6-19,17-20-7-11-22(25)12-8-20)18-21-9-13-23(26)14-10-21/h2-14H,15-18H2,1H3.
What are the key properties of 1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene?
1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene has a molecular weight of 350.45 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene is sourced from PubChem (CID 46185525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).