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

C11H20BFO2 — CID 171111275

IUPAC2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BFO2/c1-6-7-8-9(13)12-14-10(2,3)11(4,5)15-12/h8H,6-7H2,1-5H3
InChIKeyHUJZQMGZHPTFBS-UHFFFAOYSA-N
MW214.09 g/mol
LogP3.27
Rot. Bonds3

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

2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171111275) has the molecular formula C11H20BFO2 and a molecular weight of 214.09 g/mol. Its IUPAC name is 2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171111275
Molecular FormulaC11H20BFO2
Molecular Weight214.09 g/mol
Exact Mass214.15
IUPAC Name2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC=C(F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H20BFO2/c1-6-7-8-9(13)12-14-10(2,3)11(4,5)15-12/h8H,6-7H2,1-5H3
InChIKeyHUJZQMGZHPTFBS-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 53.27
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

2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
2-[(1E)-3,3-Dimethyl-1-buten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11769738
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
2-(3,3-Dimethylbut-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15496053
2-(But-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46739762
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
2-(But-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86724022
2-[(Z)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10104536

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171111275) is 2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC=C(F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HUJZQMGZHPTFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BFO2/c1-6-7-8-9(13)12-14-10(2,3)11(4,5)15-12/h8H,6-7H2,1-5H3.
What are the key properties of 2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 214.09 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171111275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).