4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene

C23H17ClF4 — CID 58698513

IUPAC4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene
SMILESFc1cc(C=Cc2ccc(Cl)cc2)ccc1C[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H17ClF4/c24-20-12-9-16(10-13-20)6-7-17-8-11-19(22(25)14-17)15-21(23(26,27)28)18-4-2-1-3-5-18/h1-14,21H,15H2/t21-/m1/s1
InChIKeyHIDXHSFLNRGPEK-OAQYLSRUSA-N
MW404.83 g/mol
LogP7.54
Rot. Bonds5

About 4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene

4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene (PubChem CID 58698513) has the molecular formula C23H17ClF4 and a molecular weight of 404.83 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene
PubChem CID58698513
Molecular FormulaC23H17ClF4
Molecular Weight404.83 g/mol
Exact Mass404.10
IUPAC Name4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene
SMILESFc1cc(C=Cc2ccc(Cl)cc2)ccc1C[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H17ClF4/c24-20-12-9-16(10-13-20)6-7-17-8-11-19(22(25)14-17)15-21(23(26,27)28)18-4-2-1-3-5-18/h1-14,21H,15H2/t21-/m1/s1
InChIKeyHIDXHSFLNRGPEK-OAQYLSRUSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.83
LogP ≤ 57.54
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-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698674
1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052475
1-ethoxy-2-fluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052617
1-ethoxy-2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698147
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 154543676
2-fluoro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]-1-propylbenzene
CID 21052814
2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene
CID 58698955
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539
1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene
CID 21052449
2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698107
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595
2-fluoro-1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 162550685

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene?
The IUPAC name of 4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene (CID 58698513) is 4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene is Fc1cc(C=Cc2ccc(Cl)cc2)ccc1C[C@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene?
The InChIKey is HIDXHSFLNRGPEK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H17ClF4/c24-20-12-9-16(10-13-20)6-7-17-8-11-19(22(25)14-17)15-21(23(26,27)28)18-4-2-1-3-5-18/h1-14,21H,15H2/t21-/m1/s1.
What are the key properties of 4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene?
4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene has a molecular weight of 404.83 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene is sourced from PubChem (CID 58698513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).