1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene

C14H9Cl2F — CID 175008181

IUPAC1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene
SMILESF/C(=C/c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C14H9Cl2F/c15-12-7-4-8-13(16)11(12)9-14(17)10-5-2-1-3-6-10/h1-9H/b14-9+
InChIKeyZIHDMDKQXMTHLW-NTEUORMPSA-N
MW267.13 g/mol
LogP5.46
Rot. Bonds2

About 1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene

1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene (PubChem CID 175008181) has the molecular formula C14H9Cl2F and a molecular weight of 267.13 g/mol. Its IUPAC name is 1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene
PubChem CID175008181
Molecular FormulaC14H9Cl2F
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene
SMILESF/C(=C/c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C14H9Cl2F/c15-12-7-4-8-13(16)11(12)9-14(17)10-5-2-1-3-6-10/h1-9H/b14-9+
InChIKeyZIHDMDKQXMTHLW-NTEUORMPSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.13
LogP ≤ 55.46
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 1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene (CID 175008181) is 1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene is F/C(=C/c1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene?
The InChIKey is ZIHDMDKQXMTHLW-NTEUORMPSA-N. The full InChI is InChI=1S/C14H9Cl2F/c15-12-7-4-8-13(16)11(12)9-14(17)10-5-2-1-3-6-10/h1-9H/b14-9+.
What are the key properties of 1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene?
1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene has a molecular weight of 267.13 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene is sourced from PubChem (CID 175008181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).