1-(4-ethenylphenyl)-2,4,5-trifluorobenzene

C14H9F3 — CID 44623494

IUPAC1-(4-ethenylphenyl)-2,4,5-trifluorobenzene
SMILESC=Cc1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C14H9F3/c1-2-9-3-5-10(6-4-9)11-7-13(16)14(17)8-12(11)15/h2-8H,1H2
InChIKeyIGLXRJKNUIZFCH-UHFFFAOYSA-N
MW234.22 g/mol
LogP4.41
Rot. Bonds2

About 1-(4-ethenylphenyl)-2,4,5-trifluorobenzene

1-(4-ethenylphenyl)-2,4,5-trifluorobenzene (PubChem CID 44623494) has the molecular formula C14H9F3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-2,4,5-trifluorobenzene
PubChem CID44623494
Molecular FormulaC14H9F3
Molecular Weight234.22 g/mol
Exact Mass234.07
IUPAC Name1-(4-ethenylphenyl)-2,4,5-trifluorobenzene
SMILESC=Cc1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C14H9F3/c1-2-9-3-5-10(6-4-9)11-7-13(16)14(17)8-12(11)15/h2-8H,1H2
InChIKeyIGLXRJKNUIZFCH-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-2,4,5-trifluorobenzene?
The IUPAC name of 1-(4-ethenylphenyl)-2,4,5-trifluorobenzene (CID 44623494) is 1-(4-ethenylphenyl)-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-(4-ethenylphenyl)-2,4,5-trifluorobenzene?
The canonical SMILES for 1-(4-ethenylphenyl)-2,4,5-trifluorobenzene is C=Cc1ccc(-c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-2,4,5-trifluorobenzene?
The InChIKey is IGLXRJKNUIZFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3/c1-2-9-3-5-10(6-4-9)11-7-13(16)14(17)8-12(11)15/h2-8H,1H2.
What are the key properties of 1-(4-ethenylphenyl)-2,4,5-trifluorobenzene?
1-(4-ethenylphenyl)-2,4,5-trifluorobenzene has a molecular weight of 234.22 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-2,4,5-trifluorobenzene is sourced from PubChem (CID 44623494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).