1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene

C15H13F — CID 91179639

IUPAC1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
SMILESCc1cccc(C=Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H13F/c1-12-3-2-4-14(11-12)6-5-13-7-9-15(16)10-8-13/h2-11H,1H3
InChIKeyPDKPDHYACSVLAM-UHFFFAOYSA-N
MW212.27 g/mol
LogP4.30
Rot. Bonds2

About 1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene

1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene (PubChem CID 91179639) has the molecular formula C15H13F and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
PubChem CID91179639
Molecular FormulaC15H13F
Molecular Weight212.27 g/mol
Exact Mass212.10
IUPAC Name1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
SMILESCc1cccc(C=Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H13F/c1-12-3-2-4-14(11-12)6-5-13-7-9-15(16)10-8-13/h2-11H,1H3
InChIKeyPDKPDHYACSVLAM-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 54.30
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-4-[2-(3-methylphenyl)ethenyl]benzene?
The IUPAC name of 1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene (CID 91179639) is 1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene is Cc1cccc(C=Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene?
The InChIKey is PDKPDHYACSVLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F/c1-12-3-2-4-14(11-12)6-5-13-7-9-15(16)10-8-13/h2-11H,1H3.
What are the key properties of 1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene?
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene has a molecular weight of 212.27 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 91179639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).