1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene

C20H23F — CID 44521359

IUPAC1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
SMILESCCCCCC/C(=C\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H23F/c1-2-3-4-8-11-19(16-17-9-6-5-7-10-17)18-12-14-20(21)15-13-18/h5-7,9-10,12-16H,2-4,8,11H2,1H3/b19-16+
InChIKeyNIFQEJPGNAWOJL-KNTRCKAVSA-N
MW282.40 g/mol
LogP6.34
Rot. Bonds7

About 1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene

1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene (PubChem CID 44521359) has the molecular formula C20H23F and a molecular weight of 282.40 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
PubChem CID44521359
Molecular FormulaC20H23F
Molecular Weight282.40 g/mol
Exact Mass282.18
IUPAC Name1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
SMILESCCCCCC/C(=C\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H23F/c1-2-3-4-8-11-19(16-17-9-6-5-7-10-17)18-12-14-20(21)15-13-18/h5-7,9-10,12-16H,2-4,8,11H2,1H3/b19-16+
InChIKeyNIFQEJPGNAWOJL-KNTRCKAVSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.40
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]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-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene (CID 44521359) is 1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene is CCCCCC/C(=C\c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene?
The InChIKey is NIFQEJPGNAWOJL-KNTRCKAVSA-N. The full InChI is InChI=1S/C20H23F/c1-2-3-4-8-11-19(16-17-9-6-5-7-10-17)18-12-14-20(21)15-13-18/h5-7,9-10,12-16H,2-4,8,11H2,1H3/b19-16+.
What are the key properties of 1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene?
1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene has a molecular weight of 282.40 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene is sourced from PubChem (CID 44521359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).