2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C6H12BFO2 — CID 57416295

IUPAC2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(F)OC1(C)C
InChIInChI=1S/C6H12BFO2/c1-5(2)6(3,4)10-7(8)9-5/h1-4H3
InChIKeyVRFVPTANEWDGIX-UHFFFAOYSA-N
MW145.97 g/mol
LogP1.54
Rot. Bonds

About 2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 57416295) has the molecular formula C6H12BFO2 and a molecular weight of 145.97 g/mol. Its IUPAC name is 2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID57416295
Molecular FormulaC6H12BFO2
Molecular Weight145.97 g/mol
Exact Mass146.09
IUPAC Name2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(F)OC1(C)C
InChIInChI=1S/C6H12BFO2/c1-5(2)6(3,4)10-7(8)9-5/h1-4H3
InChIKeyVRFVPTANEWDGIX-UHFFFAOYSA-N
XLogP1.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.97
LogP ≤ 51.54
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 2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 57416295) is 2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(F)OC1(C)C.
What is the InChIKey of 2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is VRFVPTANEWDGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BFO2/c1-5(2)6(3,4)10-7(8)9-5/h1-4H3.
What are the key properties of 2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 145.97 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 57416295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).