2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene

C23H19F3 — CID 58698107

IUPAC2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESC[C@H](Cc1ccc(C=Cc2ccc(F)cc2F)cc1F)c1ccccc1
InChIInChI=1S/C23H19F3/c1-16(18-5-3-2-4-6-18)13-20-10-8-17(14-22(20)25)7-9-19-11-12-21(24)15-23(19)26/h2-12,14-16H,13H2,1H3/t16-/m1/s1
InChIKeyAEVJSNQHRDDEJY-MRXNPFEDSA-N
MW352.40 g/mol
LogP6.62
Rot. Bonds5

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

2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (PubChem CID 58698107) has the molecular formula C23H19F3 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
PubChem CID58698107
Molecular FormulaC23H19F3
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESC[C@H](Cc1ccc(C=Cc2ccc(F)cc2F)cc1F)c1ccccc1
InChIInChI=1S/C23H19F3/c1-16(18-5-3-2-4-6-18)13-20-10-8-17(14-22(20)25)7-9-19-11-12-21(24)15-23(19)26/h2-12,14-16H,13H2,1H3/t16-/m1/s1
InChIKeyAEVJSNQHRDDEJY-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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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The IUPAC name of 2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (CID 58698107) is 2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is C[C@H](Cc1ccc(C=Cc2ccc(F)cc2F)cc1F)c1ccccc1.
What is the InChIKey of 2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The InChIKey is AEVJSNQHRDDEJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H19F3/c1-16(18-5-3-2-4-6-18)13-20-10-8-17(14-22(20)25)7-9-19-11-12-21(24)15-23(19)26/h2-12,14-16H,13H2,1H3/t16-/m1/s1.
What are the key properties of 2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]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 2,4-difluoro-1-[2-[3-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 58698107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).