2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane

C12H24B2FO4- — CID 134862517

IUPAC2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane
SMILESCC1(C)OB([B-]2(F)OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C12H24B2FO4/c1-9(2)10(3,4)17-13(16-9)14(15)18-11(5,6)12(7,8)19-14/h1-8H3/q-1
InChIKeyAVXOWEWKLUAQOW-UHFFFAOYSA-N
MW272.94 g/mol
LogP2.67
Rot. Bonds1

About 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane

2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane (PubChem CID 134862517) has the molecular formula C12H24B2FO4- and a molecular weight of 272.94 g/mol. Its IUPAC name is 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane.

Molecular Properties

Compound Name2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane
PubChem CID134862517
Molecular FormulaC12H24B2FO4-
Molecular Weight272.94 g/mol
Exact Mass273.19
IUPAC Name2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane
SMILESCC1(C)OB([B-]2(F)OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C12H24B2FO4/c1-9(2)10(3,4)17-13(16-9)14(15)18-11(5,6)12(7,8)19-14/h1-8H3/q-1
InChIKeyAVXOWEWKLUAQOW-UHFFFAOYSA-N
XLogP2.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.94
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane with MolForge

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Related Compounds

Bis(pinacolato)diborane
CID 2733548
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-[(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
4,4,4',4',5,5,5'-Heptamethyl-2,2'-bi(1,3,2-dioxaborolane)
CID 21036220
2-(1,3,2-Dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 53906093
2,2'-(Propane-2,2-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 57567774
(4,4',4',5,5,5',5'-Heptamethyl-[2,2'-bi(1,3,2-dioxaborolan)]-4-yl)methylium
CID 58194676
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 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane?
The IUPAC name of 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane (CID 134862517) is 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane.
What is the SMILES notation for 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane?
The canonical SMILES for 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane is CC1(C)OB([B-]2(F)OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane?
The InChIKey is AVXOWEWKLUAQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2FO4/c1-9(2)10(3,4)17-13(16-9)14(15)18-11(5,6)12(7,8)19-14/h1-8H3/q-1.
What are the key properties of 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane?
2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane has a molecular weight of 272.94 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane is sourced from PubChem (CID 134862517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).