2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H24BFO2 — CID 171110331

IUPAC2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CC(C2CC2)C2CC2)OC1(C)C
InChIInChI=1S/C15H24BFO2/c1-14(2)15(3,4)19-16(18-14)13(17)9-12(10-5-6-10)11-7-8-11/h9-12H,5-8H2,1-4H3
InChIKeyPEFPGOSELMZTQM-UHFFFAOYSA-N
MW266.16 g/mol
LogP3.91
Rot. Bonds4

About 2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110331) has the molecular formula C15H24BFO2 and a molecular weight of 266.16 g/mol. Its IUPAC name is 2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110331
Molecular FormulaC15H24BFO2
Molecular Weight266.16 g/mol
Exact Mass266.19
IUPAC Name2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C(F)=CC(C2CC2)C2CC2)OC1(C)C
InChIInChI=1S/C15H24BFO2/c1-14(2)15(3,4)19-16(18-14)13(17)9-12(10-5-6-10)11-7-8-11/h9-12H,5-8H2,1-4H3
InChIKeyPEFPGOSELMZTQM-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110331) is 2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C(F)=CC(C2CC2)C2CC2)OC1(C)C.
What is the InChIKey of 2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PEFPGOSELMZTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BFO2/c1-14(2)15(3,4)19-16(18-14)13(17)9-12(10-5-6-10)11-7-8-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.16 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dicyclopropyl-1-fluoroprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).