1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene

C25H18F2 — CID 118910762

IUPAC1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4cccc(F)c4F)cc3)cc2)cc1
InChIInChI=1S/C25H18F2/c1-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-3-2-4-24(26)25(23)27/h2-16H,1H3
InChIKeyZJUFWVYAGARIOQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP7.27
Rot. Bonds3

About 1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene

1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene (PubChem CID 118910762) has the molecular formula C25H18F2 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
PubChem CID118910762
Molecular FormulaC25H18F2
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4cccc(F)c4F)cc3)cc2)cc1
InChIInChI=1S/C25H18F2/c1-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-3-2-4-24(26)25(23)27/h2-16H,1H3
InChIKeyZJUFWVYAGARIOQ-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1-fluoro-2-[2-(4-methylphenyl)phenyl]benzene
CID 139250939
[4-(2,3-difluorophenyl)phenyl]boronic acid
CID 141415338
2-fluoro-3-(4-methylphenyl)benzaldehyde
CID 171367900
1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
CID 134625893
1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 142739583
2-[3-(2,3-difluorophenyl)phenyl]-5-methylpyridine
CID 59294841
1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 58058665
1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
CID 134620923

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene?
The IUPAC name of 1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene (CID 118910762) is 1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene?
The canonical SMILES for 1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene is Cc1ccc(-c2ccc(-c3ccc(-c4cccc(F)c4F)cc3)cc2)cc1.
What is the InChIKey of 1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene?
The InChIKey is ZJUFWVYAGARIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2/c1-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-3-2-4-24(26)25(23)27/h2-16H,1H3.
What are the key properties of 1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene?
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene has a molecular weight of 356.42 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 118910762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).