2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile

C24H20FN — CID 58698573

IUPAC2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile
SMILESC[C@@H](Cc1ccc(C=Cc2ccc(C#N)c(F)c2)cc1)c1ccccc1
InChIInChI=1S/C24H20FN/c1-18(22-5-3-2-4-6-22)15-20-10-7-19(8-11-20)9-12-21-13-14-23(17-26)24(25)16-21/h2-14,16,18H,15H2,1H3/t18-/m0/s1
InChIKeyYYJLFEXQMBLLIW-SFHVURJKSA-N
MW341.43 g/mol
LogP6.21
Rot. Bonds5

About 2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile

2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile (PubChem CID 58698573) has the molecular formula C24H20FN and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile
PubChem CID58698573
Molecular FormulaC24H20FN
Molecular Weight341.43 g/mol
Exact Mass341.16
IUPAC Name2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile
SMILESC[C@@H](Cc1ccc(C=Cc2ccc(C#N)c(F)c2)cc1)c1ccccc1
InChIInChI=1S/C24H20FN/c1-18(22-5-3-2-4-6-22)15-20-10-7-19(8-11-20)9-12-21-13-14-23(17-26)24(25)16-21/h2-14,16,18H,15H2,1H3/t18-/m0/s1
InChIKeyYYJLFEXQMBLLIW-SFHVURJKSA-N
XLogP6.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-cyano-3-fluorophenyl) 4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzoate
CID 58698801
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595
2-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethyl]benzonitrile
CID 58699248
4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile
CID 58698926
2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698774
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
4-[2-[3-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]ethyl]benzonitrile
CID 58699390
1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698730
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840
1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene
CID 58698930

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile (CID 58698573) is 2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile is C[C@@H](Cc1ccc(C=Cc2ccc(C#N)c(F)c2)cc1)c1ccccc1.
What is the InChIKey of 2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile?
The InChIKey is YYJLFEXQMBLLIW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H20FN/c1-18(22-5-3-2-4-6-22)15-20-10-7-19(8-11-20)9-12-21-13-14-23(17-26)24(25)16-21/h2-14,16,18H,15H2,1H3/t18-/m0/s1.
What are the key properties of 2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile?
2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile has a molecular weight of 341.43 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 58698573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).