1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene

C26H18F4 — CID 145190547

IUPAC1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
SMILESFc1cccc(-c2ccc(CCc3ccc(-c4cccc(F)c4F)cc3)cc2)c1F
InChIInChI=1S/C26H18F4/c27-23-5-1-3-21(25(23)29)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)22-4-2-6-24(28)26(22)30/h1-6,9-16H,7-8H2
InChIKeyRSDIRKLYNWWGMB-UHFFFAOYSA-N
MW406.42 g/mol
LogP7.36
Rot. Bonds5

About 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene

1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene (PubChem CID 145190547) has the molecular formula C26H18F4 and a molecular weight of 406.42 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
PubChem CID145190547
Molecular FormulaC26H18F4
Molecular Weight406.42 g/mol
Exact Mass406.13
IUPAC Name1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
SMILESFc1cccc(-c2ccc(CCc3ccc(-c4cccc(F)c4F)cc3)cc2)c1F
InChIInChI=1S/C26H18F4/c27-23-5-1-3-21(25(23)29)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)22-4-2-6-24(28)26(22)30/h1-6,9-16H,7-8H2
InChIKeyRSDIRKLYNWWGMB-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene with MolForge

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

Launch Full Analysis

Related Compounds

1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 142739583
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 145190540
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
[4-(2,3-difluorophenyl)phenyl]boronic acid
CID 141415338
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
2-[3-(2,3-difluorophenyl)-4-fluorophenyl]ethanol
CID 170453866
2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol
CID 145126379
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
4-(2,3-difluorophenyl)benzamide
CID 18626229
3-[4-(2-fluorophenyl)phenyl]propanal
CID 57240259
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine
CID 118803927

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene?
The IUPAC name of 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene (CID 145190547) is 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene is Fc1cccc(-c2ccc(CCc3ccc(-c4cccc(F)c4F)cc3)cc2)c1F.
What is the InChIKey of 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene?
The InChIKey is RSDIRKLYNWWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4/c27-23-5-1-3-21(25(23)29)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)22-4-2-6-24(28)26(22)30/h1-6,9-16H,7-8H2.
What are the key properties of 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene?
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene has a molecular weight of 406.42 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene is sourced from PubChem (CID 145190547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).