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

C14H9F3 — CID 134148569

IUPAC1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene
SMILESFc1cccc(/C=C/c2cc(F)ccc2F)c1
InChIInChI=1S/C14H9F3/c15-12-3-1-2-10(8-12)4-5-11-9-13(16)6-7-14(11)17/h1-9H/b5-4+
InChIKeyCRZRWPDBDWBIAK-SNAWJCMRSA-N
MW234.22 g/mol
LogP4.27
Rot. Bonds2

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

1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene (PubChem CID 134148569) has the molecular formula C14H9F3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene
PubChem CID134148569
Molecular FormulaC14H9F3
Molecular Weight234.22 g/mol
Exact Mass234.07
IUPAC Name1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene
SMILESFc1cccc(/C=C/c2cc(F)ccc2F)c1
InChIInChI=1S/C14H9F3/c15-12-3-1-2-10(8-12)4-5-11-9-13(16)6-7-14(11)17/h1-9H/b5-4+
InChIKeyCRZRWPDBDWBIAK-SNAWJCMRSA-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'}

Analyze 1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
The IUPAC name of 1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene (CID 134148569) is 1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
The canonical SMILES for 1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene is Fc1cccc(/C=C/c2cc(F)ccc2F)c1.
What is the InChIKey of 1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
The InChIKey is CRZRWPDBDWBIAK-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H9F3/c15-12-3-1-2-10(8-12)4-5-11-9-13(16)6-7-14(11)17/h1-9H/b5-4+.
What are the key properties of 1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
1,4-difluoro-2-[(E)-2-(3-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 1,4-difluoro-2-[(E)-2-(3-fluorophenyl)ethenyl]benzene is sourced from PubChem (CID 134148569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).