4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane

C8H12BF3O2 — CID 132594467

IUPAC4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=C(F)F)OC1(C)C
InChIInChI=1S/C8H12BF3O2/c1-7(2)8(3,4)14-9(13-7)5(10)6(11)12/h1-4H3
InChIKeyIARJWUZJQHTUFJ-UHFFFAOYSA-N
MW207.99 g/mol
LogP2.70
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane (PubChem CID 132594467) has the molecular formula C8H12BF3O2 and a molecular weight of 207.99 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane
PubChem CID132594467
Molecular FormulaC8H12BF3O2
Molecular Weight207.99 g/mol
Exact Mass208.09
IUPAC Name4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=C(F)F)OC1(C)C
InChIInChI=1S/C8H12BF3O2/c1-7(2)8(3,4)14-9(13-7)5(10)6(11)12/h1-4H3
InChIKeyIARJWUZJQHTUFJ-UHFFFAOYSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.99
LogP ≤ 52.70
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-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane (CID 132594467) is 4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane is CC1(C)OB(C(F)=C(F)F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane?
The InChIKey is IARJWUZJQHTUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BF3O2/c1-7(2)8(3,4)14-9(13-7)5(10)6(11)12/h1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane has a molecular weight of 207.99 g/mol, XLogP of 2.70, 1 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-(1,2,2-trifluoroethenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 132594467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).