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

C14H9F3 — CID 11287739

IUPAC1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene
SMILESFc1ccc(/C=C/c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H9F3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1+
InChIKeyAISCLLWJTMIDPD-OWOJBTEDSA-N
MW234.22 g/mol
LogP4.27
Rot. Bonds2

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

1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene (PubChem CID 11287739) has the molecular formula C14H9F3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene
PubChem CID11287739
Molecular FormulaC14H9F3
Molecular Weight234.22 g/mol
Exact Mass234.07
IUPAC Name1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene
SMILESFc1ccc(/C=C/c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H9F3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1+
InChIKeyAISCLLWJTMIDPD-OWOJBTEDSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 54.27
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

Biphenyl
CID 7095
Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Butylbenzene
CID 7705
Propylbenzene
CID 7668
trans-Stilbene
CID 638088
trans-beta-METHYLSTYRENE
CID 252325
Allylbenzene
CID 9309
Diphenylmethane
CID 7580
Dibenzyl
CID 7647

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene?
The IUPAC name of 1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene (CID 11287739) is 1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene?
The canonical SMILES for 1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene is Fc1ccc(/C=C/c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene?
The InChIKey is AISCLLWJTMIDPD-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H9F3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1+.
What are the key properties of 1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene?
1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene has a molecular weight of 234.22 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene is sourced from PubChem (CID 11287739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).