4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane

C14H19BF4O4 — CID 138111764

IUPAC4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CC(F)(F)C3(OCCO3)C(F)(F)C2)OC1(C)C
InChIInChI=1S/C14H19BF4O4/c1-10(2)11(3,4)23-15(22-10)9-7-12(16,17)14(13(18,19)8-9)20-5-6-21-14/h7H,5-6,8H2,1-4H3
InChIKeyNLJRSIBMYVFCHJ-UHFFFAOYSA-N
MW338.11 g/mol
LogP2.96
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane (PubChem CID 138111764) has the molecular formula C14H19BF4O4 and a molecular weight of 338.11 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
PubChem CID138111764
Molecular FormulaC14H19BF4O4
Molecular Weight338.11 g/mol
Exact Mass338.13
IUPAC Name4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CC(F)(F)C3(OCCO3)C(F)(F)C2)OC1(C)C
InChIInChI=1S/C14H19BF4O4/c1-10(2)11(3,4)23-15(22-10)9-7-12(16,17)14(13(18,19)8-9)20-5-6-21-14/h7H,5-6,8H2,1-4H3
InChIKeyNLJRSIBMYVFCHJ-UHFFFAOYSA-N
XLogP2.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.11
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane (CID 138111764) is 4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane is CC1(C)OB(C2=CC(F)(F)C3(OCCO3)C(F)(F)C2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The InChIKey is NLJRSIBMYVFCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BF4O4/c1-10(2)11(3,4)23-15(22-10)9-7-12(16,17)14(13(18,19)8-9)20-5-6-21-14/h7H,5-6,8H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane has a molecular weight of 338.11 g/mol, XLogP of 2.96, 1 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-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 138111764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).