2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H32BFO2 — CID 171110468

About 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110468) has the molecular formula C18H32BFO2 and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 171110468
• Molecular Formula: C18H32BFO2
• Molecular Weight: 310.26 g/mol
• Exact Mass: 310.25
• IUPAC Name: 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CC1CC(C)(C)C1
• InChI: InChI=1S/C18H32BFO2/c1-15(2)9-13(10-15)11-16(3,4)12-14(20)19-21-17(5,6)18(7,8)22-19/h12-13H,9-11H2,1-8H3
• InChIKey: RBAGQOPCICJYFW-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	310.26
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110468) is 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C=C(F)B1OC(C)(C)C(C)(C)O1)CC1CC(C)(C)C1.

What is the InChIKey of 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is RBAGQOPCICJYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32BFO2/c1-15(2)9-13(10-15)11-16(3,4)12-14(20)19-21-17(5,6)18(7,8)22-19/h12-13H,9-11H2,1-8H3.

What are the key properties of 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 310.26 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,3-dimethylcyclobutyl)-1-fluoro-3,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).