2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole

C15H10BF3O2 — CID 16720138

IUPAC2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole
SMILESFC(F)(F)c1ccc(/C=C/B2Oc3ccccc3O2)cc1
InChIInChI=1S/C15H10BF3O2/c17-15(18,19)12-7-5-11(6-8-12)9-10-16-20-13-3-1-2-4-14(13)21-16/h1-10H/b10-9+
InChIKeySZVPYZGDSHLYEA-MDZDMXLPSA-N
MW290.05 g/mol
LogP4.22
Rot. Bonds2

About 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole

2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole (PubChem CID 16720138) has the molecular formula C15H10BF3O2 and a molecular weight of 290.05 g/mol. Its IUPAC name is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole.

Molecular Properties

Compound Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole
PubChem CID16720138
Molecular FormulaC15H10BF3O2
Molecular Weight290.05 g/mol
Exact Mass290.07
IUPAC Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole
SMILESFC(F)(F)c1ccc(/C=C/B2Oc3ccccc3O2)cc1
InChIInChI=1S/C15H10BF3O2/c17-15(18,19)12-7-5-11(6-8-12)9-10-16-20-13-3-1-2-4-14(13)21-16/h1-10H/b10-9+
InChIKeySZVPYZGDSHLYEA-MDZDMXLPSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.05
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole?
The IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole (CID 16720138) is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole.
What is the SMILES notation for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole?
The canonical SMILES for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole is FC(F)(F)c1ccc(/C=C/B2Oc3ccccc3O2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole?
The InChIKey is SZVPYZGDSHLYEA-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H10BF3O2/c17-15(18,19)12-7-5-11(6-8-12)9-10-16-20-13-3-1-2-4-14(13)21-16/h1-10H/b10-9+.
What are the key properties of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole?
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole has a molecular weight of 290.05 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-benzodioxaborole is sourced from PubChem (CID 16720138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).