4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane

C12H20BF3O2 — CID 171110563

IUPAC4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane
SMILESCC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)C(F)F
InChIInChI=1S/C12H20BF3O2/c1-10(2,9(15)16)7-8(14)13-17-11(3,4)12(5,6)18-13/h7,9H,1-6H3
InChIKeyVUPQICYTQDJVEE-UHFFFAOYSA-N
MW264.10 g/mol
LogP3.76
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane (PubChem CID 171110563) has the molecular formula C12H20BF3O2 and a molecular weight of 264.10 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane
PubChem CID171110563
Molecular FormulaC12H20BF3O2
Molecular Weight264.10 g/mol
Exact Mass264.15
IUPAC Name4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane
SMILESCC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)C(F)F
InChIInChI=1S/C12H20BF3O2/c1-10(2,9(15)16)7-8(14)13-17-11(3,4)12(5,6)18-13/h7,9H,1-6H3
InChIKeyVUPQICYTQDJVEE-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.10
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E)-3,3-Dimethyl-1-buten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11769738
2-(3,3-Dimethylbut-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15496053
4,4,5,5-Tetramethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborolane
CID 72221211
4,4,5,5-tetramethyl-2-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-1,3,2-dioxaborolane
CID 72218211
(Z)-2-(4-chloro-4-fluorobut-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162624083
(E)-4,4,5,5-tetramethyl-2-(4,4,4-trifluorobut-2-en-1-yl)-1,3,2-dioxaborolane
CID 165415799
2-(3,3-Difluoroallyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170903801
2-[(3R)-1,1-difluoronon-1-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177421331
D-1365
CID 10330730
4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 123563651
(Z)-1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-4,4,4-trifluoro-2-butene
CID 132542112
2-[2-(Difluoromethylidene)butyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 141667955

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane (CID 171110563) is 4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane is CC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)C(F)F.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane?
The InChIKey is VUPQICYTQDJVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BF3O2/c1-10(2,9(15)16)7-8(14)13-17-11(3,4)12(5,6)18-13/h7,9H,1-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane has a molecular weight of 264.10 g/mol, XLogP of 3.76, 3 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-(1,4,4-trifluoro-3,3-dimethylbut-1-enyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 171110563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).