4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane

C15H18BF3O2 — CID 71463720

IUPAC4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/c2ccc(C(F)(F)F)cc2)OC1(C)C
InChIInChI=1S/C15H18BF3O2/c1-13(2)14(3,4)21-16(20-13)10-9-11-5-7-12(8-6-11)15(17,18)19/h5-10H,1-4H3/b10-9+
InChIKeyICHUCLGNVHZZQF-MDZDMXLPSA-N
MW298.11 g/mol
LogP4.35
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane (PubChem CID 71463720) has the molecular formula C15H18BF3O2 and a molecular weight of 298.11 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
PubChem CID71463720
Molecular FormulaC15H18BF3O2
Molecular Weight298.11 g/mol
Exact Mass298.14
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/c2ccc(C(F)(F)F)cc2)OC1(C)C
InChIInChI=1S/C15H18BF3O2/c1-13(2)14(3,4)21-16(20-13)10-9-11-5-7-12(8-6-11)15(17,18)19/h5-10H,1-4H3/b10-9+
InChIKeyICHUCLGNVHZZQF-MDZDMXLPSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 54.35
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 4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane (CID 71463720) is 4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane is CC1(C)OB(/C=C/c2ccc(C(F)(F)F)cc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?
The InChIKey is ICHUCLGNVHZZQF-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H18BF3O2/c1-13(2)14(3,4)21-16(20-13)10-9-11-5-7-12(8-6-11)15(17,18)19/h5-10H,1-4H3/b10-9+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane has a molecular weight of 298.11 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 71463720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).