1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene

C23H19F3 — CID 58698930

IUPAC1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene
SMILESC[C@H](Cc1cc(F)c(C=Cc2ccc(F)cc2)c(F)c1)c1ccccc1
InChIInChI=1S/C23H19F3/c1-16(19-5-3-2-4-6-19)13-18-14-22(25)21(23(26)15-18)12-9-17-7-10-20(24)11-8-17/h2-12,14-16H,13H2,1H3/t16-/m1/s1
InChIKeyNBIHUHITKVUFDG-MRXNPFEDSA-N
MW352.40 g/mol
LogP6.62
Rot. Bonds5

About 1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene

1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene (PubChem CID 58698930) has the molecular formula C23H19F3 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene
PubChem CID58698930
Molecular FormulaC23H19F3
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene
SMILESC[C@H](Cc1cc(F)c(C=Cc2ccc(F)cc2)c(F)c1)c1ccccc1
InChIInChI=1S/C23H19F3/c1-16(19-5-3-2-4-6-19)13-18-14-22(25)21(23(26)15-18)12-9-17-7-10-20(24)11-8-17/h2-12,14-16H,13H2,1H3/t16-/m1/s1
InChIKeyNBIHUHITKVUFDG-MRXNPFEDSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 56.62
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
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
1,3-difluoro-5-pent-3-enyl-2-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91003590
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698774
2-[2-(4-chlorophenyl)ethenyl]-1,3-difluoro-5-[(2R)-2-phenylpropyl]benzene;5-[2-(4-chlorophenyl)ethenyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene;1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene;1,3-difluoro-5-[2-(4-fluorophenyl)ethenyl]-2-[(2R)-2-phenylpropyl]benzene;1,3-difluoro-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-5-[(2R)-2-phenylpropyl]benzene;1,3-difluoro-5-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-2-[(2R)-2-phenylpropyl]benzene;1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-(4-propylphenyl)ethenyl]benzene;1,3-difluoro-5-[(2R)-2-phenylpropyl]-2-[2-(4-propylphenyl)ethenyl]benzene;2-[2-(4-ethoxyphenyl)ethenyl]-1,3-difluoro-5-[(2R)-2-phenylpropyl]benzene;5-[2-(4-ethoxyphenyl)ethenyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene
CID 159682635
2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile
CID 58698573
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
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

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene?
The IUPAC name of 1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene (CID 58698930) is 1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene is C[C@H](Cc1cc(F)c(C=Cc2ccc(F)cc2)c(F)c1)c1ccccc1.
What is the InChIKey of 1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene?
The InChIKey is NBIHUHITKVUFDG-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H19F3/c1-16(19-5-3-2-4-6-19)13-18-14-22(25)21(23(26)15-18)12-9-17-7-10-20(24)11-8-17/h2-12,14-16H,13H2,1H3/t16-/m1/s1.
What are the key properties of 1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene?
1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene has a molecular weight of 352.40 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene is sourced from PubChem (CID 58698930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).