1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene

C28H18F6 — CID 10322373

IUPAC1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene
SMILESFC1(F)C(F)(F)[C@@](F)(c2ccc(-c3ccccc3)cc2)[C@]1(F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H18F6/c29-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)26(30,28(33,34)27(25,31)32)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H/t25-,26-/m1/s1
InChIKeyQJBJRQFUGLAXAZ-CLJLJLNGSA-N
MW468.44 g/mol
LogP8.33
Rot. Bonds4

About 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene

1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene (PubChem CID 10322373) has the molecular formula C28H18F6 and a molecular weight of 468.44 g/mol. Its IUPAC name is 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene
PubChem CID10322373
Molecular FormulaC28H18F6
Molecular Weight468.44 g/mol
Exact Mass468.13
IUPAC Name1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene
SMILESFC1(F)C(F)(F)[C@@](F)(c2ccc(-c3ccccc3)cc2)[C@]1(F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H18F6/c29-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)26(30,28(33,34)27(25,31)32)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H/t25-,26-/m1/s1
InChIKeyQJBJRQFUGLAXAZ-CLJLJLNGSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.44
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene?
The IUPAC name of 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene (CID 10322373) is 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene.
What is the SMILES notation for 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene?
The canonical SMILES for 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene is FC1(F)C(F)(F)[C@@](F)(c2ccc(-c3ccccc3)cc2)[C@]1(F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene?
The InChIKey is QJBJRQFUGLAXAZ-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H18F6/c29-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)26(30,28(33,34)27(25,31)32)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H/t25-,26-/m1/s1.
What are the key properties of 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene?
1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene has a molecular weight of 468.44 g/mol, XLogP of 8.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4R)-1,2,2,3,3,4-hexafluoro-4-(4-phenylphenyl)cyclobutyl]-4-phenylbenzene is sourced from PubChem (CID 10322373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).