2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene

C25H24F2 — CID 58698955

IUPAC2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene
SMILESCCCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2)cc1F
InChIInChI=1S/C25H24F2/c1-2-6-22-16-15-21(18-24(22)26)14-11-19-9-12-20(13-10-19)17-25(27)23-7-4-3-5-8-23/h3-5,7-16,18,25H,2,6,17H2,1H3/t25-/m0/s1
InChIKeyJDWBLZRVRAFVBX-VWLOTQADSA-N
MW362.46 g/mol
LogP7.20
Rot. Bonds7

About 2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene

2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene (PubChem CID 58698955) has the molecular formula C25H24F2 and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene
PubChem CID58698955
Molecular FormulaC25H24F2
Molecular Weight362.46 g/mol
Exact Mass362.18
IUPAC Name2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene
SMILESCCCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2)cc1F
InChIInChI=1S/C25H24F2/c1-2-6-22-16-15-21(18-24(22)26)14-11-19-9-12-20(13-10-19)17-25(27)23-7-4-3-5-8-23/h3-5,7-16,18,25H,2,6,17H2,1H3/t25-/m0/s1
InChIKeyJDWBLZRVRAFVBX-VWLOTQADSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 57.20
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-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]-1-propylbenzene
CID 21052814
1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene
CID 21052449
4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene
CID 71103035
1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2R)-2-fluoro-2-phenylethyl]benzene
CID 58698898
2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58699151
4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene
CID 162193697
2-fluoro-1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 162550685
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539
1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052475
2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-pent-3-enylphenyl)ethenyl]benzene
CID 91484905
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene?
The IUPAC name of 2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene (CID 58698955) is 2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene.
What is the SMILES notation for 2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene?
The canonical SMILES for 2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene is CCCc1ccc(C=Cc2ccc(C[C@H](F)c3ccccc3)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene?
The InChIKey is JDWBLZRVRAFVBX-VWLOTQADSA-N. The full InChI is InChI=1S/C25H24F2/c1-2-6-22-16-15-21(18-24(22)26)14-11-19-9-12-20(13-10-19)17-25(27)23-7-4-3-5-8-23/h3-5,7-16,18,25H,2,6,17H2,1H3/t25-/m0/s1.
What are the key properties of 2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene?
2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene has a molecular weight of 362.46 g/mol, XLogP of 7.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene is sourced from PubChem (CID 58698955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).