2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene

C31H28F2 — CID 58698840

IUPAC2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
SMILESC[C@H](Cc1ccc(CCc2ccc(C=Cc3ccc(F)cc3F)cc2)cc1)c1ccccc1
InChIInChI=1S/C31H28F2/c1-23(28-5-3-2-4-6-28)21-27-15-13-25(14-16-27)8-7-24-9-11-26(12-10-24)17-18-29-19-20-30(32)22-31(29)33/h2-6,9-20,22-23H,7-8,21H2,1H3/t23-/m1/s1
InChIKeyOYZNCLOAAUIZNI-HSZRJFAPSA-N
MW438.56 g/mol
LogP8.27
Rot. Bonds8

About 2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene

2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene (PubChem CID 58698840) has the molecular formula C31H28F2 and a molecular weight of 438.56 g/mol. Its IUPAC name is 2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
PubChem CID58698840
Molecular FormulaC31H28F2
Molecular Weight438.56 g/mol
Exact Mass438.22
IUPAC Name2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
SMILESC[C@H](Cc1ccc(CCc2ccc(C=Cc3ccc(F)cc3F)cc2)cc1)c1ccccc1
InChIInChI=1S/C31H28F2/c1-23(28-5-3-2-4-6-28)21-27-15-13-25(14-16-27)8-7-24-9-11-26(12-10-24)17-18-29-19-20-30(32)22-31(29)33/h2-6,9-20,22-23H,7-8,21H2,1H3/t23-/m1/s1
InChIKeyOYZNCLOAAUIZNI-HSZRJFAPSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355
2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91375296
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 58698086
2-fluoro-1-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58699470
4-[2-[3-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]ethyl]benzonitrile
CID 58699390
2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698107
2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698594
2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 91188184
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene?
The IUPAC name of 2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene (CID 58698840) is 2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene is C[C@H](Cc1ccc(CCc2ccc(C=Cc3ccc(F)cc3F)cc2)cc1)c1ccccc1.
What is the InChIKey of 2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene?
The InChIKey is OYZNCLOAAUIZNI-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H28F2/c1-23(28-5-3-2-4-6-28)21-27-15-13-25(14-16-27)8-7-24-9-11-26(12-10-24)17-18-29-19-20-30(32)22-31(29)33/h2-6,9-20,22-23H,7-8,21H2,1H3/t23-/m1/s1.
What are the key properties of 2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene?
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene has a molecular weight of 438.56 g/mol, XLogP of 8.27, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 58698840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).