1-fluoro-2-[(E)-2-phenylethenyl]benzene

C14H11F — CID 11788847

IUPAC1-fluoro-2-[(E)-2-phenylethenyl]benzene
SMILESFc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C14H11F/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyFMGVTMQBJISCFC-ZHACJKMWSA-N
MW198.24 g/mol
LogP4.00
Rot. Bonds2

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

1-fluoro-2-[(E)-2-phenylethenyl]benzene (PubChem CID 11788847) has the molecular formula C14H11F and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-fluoro-2-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(E)-2-phenylethenyl]benzene
PubChem CID11788847
Molecular FormulaC14H11F
Molecular Weight198.24 g/mol
Exact Mass198.08
IUPAC Name1-fluoro-2-[(E)-2-phenylethenyl]benzene
SMILESFc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C14H11F/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyFMGVTMQBJISCFC-ZHACJKMWSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 54.00
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-fluoro-2-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-fluoro-2-[(E)-2-phenylethenyl]benzene (CID 11788847) is 1-fluoro-2-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-fluoro-2-[(E)-2-phenylethenyl]benzene is Fc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 1-fluoro-2-[(E)-2-phenylethenyl]benzene?
The InChIKey is FMGVTMQBJISCFC-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H11F/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+.
What are the key properties of 1-fluoro-2-[(E)-2-phenylethenyl]benzene?
1-fluoro-2-[(E)-2-phenylethenyl]benzene has a molecular weight of 198.24 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 11788847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).