2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H22BFO2 — CID 171110099

IUPAC2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC#CCC1(C=C(F)B2OC(C)(C)C(C)(C)O2)CCC1
InChIInChI=1S/C15H22BFO2/c1-6-8-15(9-7-10-15)11-12(17)16-18-13(2,3)14(4,5)19-16/h1,11H,7-10H2,2-5H3
InChIKeyIDHOKKRMOHUBRC-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.66
Rot. Bonds3

About 2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110099) has the molecular formula C15H22BFO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110099
Molecular FormulaC15H22BFO2
Molecular Weight264.15 g/mol
Exact Mass264.17
IUPAC Name2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC#CCC1(C=C(F)B2OC(C)(C)C(C)(C)O2)CCC1
InChIInChI=1S/C15H22BFO2/c1-6-8-15(9-7-10-15)11-12(17)16-18-13(2,3)14(4,5)19-16/h1,11H,7-10H2,2-5H3
InChIKeyIDHOKKRMOHUBRC-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110099) is 2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C#CCC1(C=C(F)B2OC(C)(C)C(C)(C)O2)CCC1.
What is the InChIKey of 2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IDHOKKRMOHUBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BFO2/c1-6-8-15(9-7-10-15)11-12(17)16-18-13(2,3)14(4,5)19-16/h1,11H,7-10H2,2-5H3.
What are the key properties of 2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 264.15 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-2-(1-prop-2-ynylcyclobutyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).