4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane

C15H27B2F3O4 — CID 102038730

IUPAC4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(CC(F)(F)F)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C15H27B2F3O4/c1-11(2)12(3,4)22-16(21-11)10(9-15(18,19)20)17-23-13(5,6)14(7,8)24-17/h10H,9H2,1-8H3
InChIKeyHYHRUSBIARGZAC-UHFFFAOYSA-N
MW350.00 g/mol
LogP4.03
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane (PubChem CID 102038730) has the molecular formula C15H27B2F3O4 and a molecular weight of 350.00 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane
PubChem CID102038730
Molecular FormulaC15H27B2F3O4
Molecular Weight350.00 g/mol
Exact Mass350.20
IUPAC Name4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(CC(F)(F)F)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C15H27B2F3O4/c1-11(2)12(3,4)22-16(21-11)10(9-15(18,19)20)17-23-13(5,6)14(7,8)24-17/h10H,9H2,1-8H3
InChIKeyHYHRUSBIARGZAC-UHFFFAOYSA-N
XLogP4.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.00
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-Tetramethyl-2-((tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-1,3,2-dioxaborolane
CID 11311685
4,4,5,5-Tetramethyl-2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl)-1,3,2-dioxaborolane
CID 24859892
4,4,5,5-Tetramethyl-2-(3,3,3-trifluoropropyl)-1,3,2-dioxaborolane
CID 84819133
4,4,5,5-Tetramethyl-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaborolane
CID 137698951
4,4,5,5-Tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane
CID 14926002
2-(Fluoro(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168448358
4,4,5,5-Tetramethyl-2-[5,5,5-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]-1,3,2-dioxaborolane
CID 162417819
2-(4,4-Difluorobutan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176437801
2,2'-(Propane-2,2-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 57567774
CID 68718447
CID 68718447
2,2'-(Ethane-1,1-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 89798430
4,4,5,5-Tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane
CID 135079585

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane (CID 102038730) is 4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane is CC1(C)OB(C(CC(F)(F)F)B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane?
The InChIKey is HYHRUSBIARGZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27B2F3O4/c1-11(2)12(3,4)22-16(21-11)10(9-15(18,19)20)17-23-13(5,6)14(7,8)24-17/h10H,9H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane has a molecular weight of 350.00 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[3,3,3-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 102038730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).