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

C23H19F3 — CID 58698949

IUPAC1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene
SMILESFc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)F)cc2)cc1
InChIInChI=1S/C23H19F3/c24-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(23(25)26)20-4-2-1-3-5-20/h1-15,22-23H,16H2/t22-/m0/s1
InChIKeyURIMQQAVTVPUAV-QFIPXVFZSA-N
MW352.40 g/mol
LogP6.59
Rot. Bonds6

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

1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene (PubChem CID 58698949) has the molecular formula C23H19F3 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene
PubChem CID58698949
Molecular FormulaC23H19F3
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene
SMILESFc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)F)cc2)cc1
InChIInChI=1S/C23H19F3/c24-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(23(25)26)20-4-2-1-3-5-20/h1-15,22-23H,16H2/t22-/m0/s1
InChIKeyURIMQQAVTVPUAV-QFIPXVFZSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 56.59
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

1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene
CID 21052449
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene
CID 58698930
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840
1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
CID 177383855
1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052475
N-ethyl-1-(4-fluorophenyl)-3-phenylpentan-2-amine
CID 115786119
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698674
1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene
CID 58698899
2-fluoro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]-1-propylbenzene
CID 21052814

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene?
The IUPAC name of 1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene (CID 58698949) is 1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene.
What is the SMILES notation for 1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene?
The canonical SMILES for 1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene is Fc1ccc(C=Cc2ccc(C[C@@H](c3ccccc3)C(F)F)cc2)cc1.
What is the InChIKey of 1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene?
The InChIKey is URIMQQAVTVPUAV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H19F3/c24-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(23(25)26)20-4-2-1-3-5-20/h1-15,22-23H,16H2/t22-/m0/s1.
What are the key properties of 1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene?
1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene has a molecular weight of 352.40 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,3-difluoro-2-phenylpropyl]-4-[2-(4-fluorophenyl)ethenyl]benzene is sourced from PubChem (CID 58698949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).