2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H19BF2O2 — CID 155894846

IUPAC2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCC(F)(F)C2)OC1(C)C
InChIInChI=1S/C11H19BF2O2/c1-9(2)10(3,4)16-12(15-9)8-5-6-11(13,14)7-8/h8H,5-7H2,1-4H3
InChIKeyGVBXMTQPUNITSW-UHFFFAOYSA-N
MW232.08 g/mol
LogP3.27
Rot. Bonds1

About 2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 155894846) has the molecular formula C11H19BF2O2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID155894846
Molecular FormulaC11H19BF2O2
Molecular Weight232.08 g/mol
Exact Mass232.14
IUPAC Name2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCC(F)(F)C2)OC1(C)C
InChIInChI=1S/C11H19BF2O2/c1-9(2)10(3,4)16-12(15-9)8-5-6-11(13,14)7-8/h8H,5-7H2,1-4H3
InChIKeyGVBXMTQPUNITSW-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 53.27
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-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 155894846) is 2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2CCC(F)(F)C2)OC1(C)C.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GVBXMTQPUNITSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BF2O2/c1-9(2)10(3,4)16-12(15-9)8-5-6-11(13,14)7-8/h8H,5-7H2,1-4H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 232.08 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 155894846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).