2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H24BFO2 — CID 171112674

IUPAC2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)C2CC(=C(F)B3OC(C)(C)C(C)(C)O3)CC21
InChIInChI=1S/C15H24BFO2/c1-13(2)10-7-9(8-11(10)13)12(17)16-18-14(3,4)15(5,6)19-16/h10-11H,7-8H2,1-6H3
InChIKeyCCSRAHQNZINKTN-UHFFFAOYSA-N
MW266.16 g/mol
LogP3.91
Rot. Bonds1

About 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171112674) has the molecular formula C15H24BFO2 and a molecular weight of 266.16 g/mol. Its IUPAC name is 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171112674
Molecular FormulaC15H24BFO2
Molecular Weight266.16 g/mol
Exact Mass266.19
IUPAC Name2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)C2CC(=C(F)B3OC(C)(C)C(C)(C)O3)CC21
InChIInChI=1S/C15H24BFO2/c1-13(2)10-7-9(8-11(10)13)12(17)16-18-14(3,4)15(5,6)19-16/h10-11H,7-8H2,1-6H3
InChIKeyCCSRAHQNZINKTN-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171112674) is 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)C2CC(=C(F)B3OC(C)(C)C(C)(C)O3)CC21.
What is the InChIKey of 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CCSRAHQNZINKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BFO2/c1-13(2)10-7-9(8-11(10)13)12(17)16-18-14(3,4)15(5,6)19-16/h10-11H,7-8H2,1-6H3.
What are the key properties of 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.16 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6-dimethyl-3-bicyclo[3.1.0]hexanylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171112674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).