1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene

C15H9Cl2F3 — CID 11209303

IUPAC1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESFC(F)(F)c1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H9Cl2F3/c16-13-7-11(8-14(17)9-13)5-4-10-2-1-3-12(6-10)15(18,19)20/h1-9H/b5-4+
InChIKeyFVJGGSMODLJBMK-SNAWJCMRSA-N
MW317.14 g/mol
LogP6.18
Rot. Bonds2

About 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene

1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene (PubChem CID 11209303) has the molecular formula C15H9Cl2F3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
PubChem CID11209303
Molecular FormulaC15H9Cl2F3
Molecular Weight317.14 g/mol
Exact Mass316.00
IUPAC Name1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESFC(F)(F)c1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H9Cl2F3/c16-13-7-11(8-14(17)9-13)5-4-10-2-1-3-12(6-10)15(18,19)20/h1-9H/b5-4+
InChIKeyFVJGGSMODLJBMK-SNAWJCMRSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.14
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]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 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
The IUPAC name of 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene (CID 11209303) is 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene is FC(F)(F)c1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
The InChIKey is FVJGGSMODLJBMK-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H9Cl2F3/c16-13-7-11(8-14(17)9-13)5-4-10-2-1-3-12(6-10)15(18,19)20/h1-9H/b5-4+.
What are the key properties of 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene has a molecular weight of 317.14 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 11209303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).