2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene

C16H23BF2O2 — CID 157033634

IUPAC2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene
SMILESCC1(C)OB(C2CC2)OC1(C)C.FC(F)c1ccccc1
InChIInChI=1S/C9H17BO2.C7H6F2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7;8-7(9)6-4-2-1-3-5-6/h7H,5-6H2,1-4H3;1-5,7H
InChIKeyWCJRIYOFAMGRTJ-UHFFFAOYSA-N
MW296.17 g/mol
LogP4.87
Rot. Bonds2

About 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene

2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene (PubChem CID 157033634) has the molecular formula C16H23BF2O2 and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene.

Molecular Properties

Compound Name2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene
PubChem CID157033634
Molecular FormulaC16H23BF2O2
Molecular Weight296.17 g/mol
Exact Mass296.18
IUPAC Name2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene
SMILESCC1(C)OB(C2CC2)OC1(C)C.FC(F)c1ccccc1
InChIInChI=1S/C9H17BO2.C7H6F2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7;8-7(9)6-4-2-1-3-5-6/h7H,5-6H2,1-4H3;1-5,7H
InChIKeyWCJRIYOFAMGRTJ-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene 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-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene?
The IUPAC name of 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene (CID 157033634) is 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene.
What is the SMILES notation for 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene?
The canonical SMILES for 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene is CC1(C)OB(C2CC2)OC1(C)C.FC(F)c1ccccc1.
What is the InChIKey of 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene?
The InChIKey is WCJRIYOFAMGRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO2.C7H6F2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7;8-7(9)6-4-2-1-3-5-6/h7H,5-6H2,1-4H3;1-5,7H.
What are the key properties of 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene?
2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene has a molecular weight of 296.17 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene is sourced from PubChem (CID 157033634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).