2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H22BFO2 — CID 171111311

IUPAC2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)CC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H22BFO2/c1-9(2)7-8-10(14)13-15-11(3,4)12(5,6)16-13/h8-9H,7H2,1-6H3
InChIKeyZVIKWSYHVAECCQ-UHFFFAOYSA-N
MW228.12 g/mol
LogP3.52
Rot. Bonds3

About 2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171111311) has the molecular formula C12H22BFO2 and a molecular weight of 228.12 g/mol. Its IUPAC name is 2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171111311
Molecular FormulaC12H22BFO2
Molecular Weight228.12 g/mol
Exact Mass228.17
IUPAC Name2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)CC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H22BFO2/c1-9(2)7-8-10(14)13-15-11(3,4)12(5,6)16-13/h8-9H,7H2,1-6H3
InChIKeyZVIKWSYHVAECCQ-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester
CID 16217940
4,4,5,5-tetramethyl-2-((1E)-3-methylbut-1-en-1-yl)-1,3,2-dioxaborolane
CID 15206435
4,4,5,5-Tetramethyl-2-(pent-1-en-2-yl)-1,3,2-dioxaborolane
CID 123897364
(E)-4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-1-yl)-1,3,2-dioxaborolane
CID 124273621
4,4,5,5-Tetramethyl-2-(pent-1-en-3-yl)-1,3,2-dioxaborolane
CID 11701200
4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-2-yl)-1,3,2-dioxaborolane
CID 154712902
4,4,5,5-Tetramethyl-2-(2-methylbut-3-en-2-yl)-1,3,2-dioxaborolane
CID 14893005
4,4,5,5-Tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane
CID 72221109
2-[(1E)-3-ethylpent-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165646498
(Z)-2-(4-chloro-4-fluorobut-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162624083
4-Pentenylboronic acid pinacol ester
CID 15260003

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171111311) is 2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)CC=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZVIKWSYHVAECCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BFO2/c1-9(2)7-8-10(14)13-15-11(3,4)12(5,6)16-13/h8-9H,7H2,1-6H3.
What are the key properties of 2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 228.12 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-4-methylpent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171111311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).